5-methylhept-1-en-2-ylbenzene

C14H20 — CID 90870775

IUPAC5-methylhept-1-en-2-ylbenzene
SMILESC=C(CCC(C)CC)c1ccccc1
InChIInChI=1S/C14H20/c1-4-12(2)10-11-13(3)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyVKMBZPHJGJNWEM-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.53
Rot. Bonds5

About 5-methylhept-1-en-2-ylbenzene

5-methylhept-1-en-2-ylbenzene (PubChem CID 90870775) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-methylhept-1-en-2-ylbenzene.

Molecular Properties

Compound Name5-methylhept-1-en-2-ylbenzene
PubChem CID90870775
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name5-methylhept-1-en-2-ylbenzene
SMILESC=C(CCC(C)CC)c1ccccc1
InChIInChI=1S/C14H20/c1-4-12(2)10-11-13(3)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyVKMBZPHJGJNWEM-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methylhept-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chlorohept-1-en-2-ylbenzene
CID 66808379
pent-1-en-2-ylbenzene
CID 521761
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
diphenylmethanone;3-methylheptane
CID 174880774
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
2-phenylprop-2-en-1-amine;propane
CID 143101756
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345
6-amino-4-methyl-1-phenyloctan-1-one
CID 167240077

Frequently Asked Questions

What is the IUPAC name of 5-methylhept-1-en-2-ylbenzene?
The IUPAC name of 5-methylhept-1-en-2-ylbenzene (CID 90870775) is 5-methylhept-1-en-2-ylbenzene.
What is the SMILES notation for 5-methylhept-1-en-2-ylbenzene?
The canonical SMILES for 5-methylhept-1-en-2-ylbenzene is C=C(CCC(C)CC)c1ccccc1.
What is the InChIKey of 5-methylhept-1-en-2-ylbenzene?
The InChIKey is VKMBZPHJGJNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-4-12(2)10-11-13(3)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 5-methylhept-1-en-2-ylbenzene?
5-methylhept-1-en-2-ylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhept-1-en-2-ylbenzene is sourced from PubChem (CID 90870775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).