Monomers
4-Phenyl-1-butene
Identifiers
IUPAC name
but-3-enylbenzene
InchI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InchI Key
PBGVMIDTGGTBFS-UHFFFAOYSA-N
SMILES
C=CCCc1ccccc1
Canonical SMILES
C=CCCC1=CC=CC=C1
Isomeric SMILES
C=CCCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
3.9080 -0.3965 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9743 0.5082 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 0.3101 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 0.2702 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7528 0.0741 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3130 -1.1914 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6214 -1.3933 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4274 -0.3074 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9070 0.9669 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5908 1.1457 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7066 -1.2910 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9017 -0.2335 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2121 1.3895 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3011 1.1202 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5401 -0.6366 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 1.2167 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9433 -0.6225 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6917 -2.0517 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0559 -2.3894 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4702 -0.4554 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5235 1.8177 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1741 2.1494 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
6 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers