Monomers
Heptyl acrylate
Identifiers
IUPAC name
heptyl prop-2-enoate
InchI
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3
InchI Key
SCFQUKBBGYTJNC-UHFFFAOYSA-N
SMILES
CCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCOC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
30 29 0 0 0 0 0 0 0 0999 V2000
-3.4726 -1.3620 -0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3488 0.1384 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9897 0.8571 0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7803 0.5785 1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4236 0.7557 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 -0.1230 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3268 0.0865 -1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.2142 -0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5914 -0.1018 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9902 0.2743 -1.3263 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5722 -0.4025 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8576 -0.2711 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9450 -1.5969 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5023 -1.8697 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1606 -1.7134 -1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4568 0.4481 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8508 0.3799 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 1.9725 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8715 0.7402 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 -0.4877 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 1.1687 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3791 0.6392 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3553 1.8557 0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2725 -1.1980 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7279 0.1775 -1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4267 1.0916 -1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5005 -0.6506 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2588 -0.7313 1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2426 0.0492 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5845 -0.4910 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 3
1 13 1 0
1 14 1 0
1 15 1 0
2 16 1 0
2 17 1 0
3 18 1 0
3 19 1 0
4 20 1 0
4 21 1 0
5 22 1 0
5 23 1 0
6 24 1 0
6 25 1 0
7 26 1 0
7 27 1 0
11 28 1 0
12 29 1 0
12 30 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers