(5-methylcyclohexen-1-yl)benzene

C13H16 — CID 56998306

IUPAC(5-methylcyclohexen-1-yl)benzene
SMILESCC1CCC=C(c2ccccc2)C1
InChIInChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyJVCZVQQCJMWPNJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.89
Rot. Bonds1

About (5-methylcyclohexen-1-yl)benzene

(5-methylcyclohexen-1-yl)benzene (PubChem CID 56998306) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (5-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(5-methylcyclohexen-1-yl)benzene
PubChem CID56998306
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(5-methylcyclohexen-1-yl)benzene
SMILESCC1CCC=C(c2ccccc2)C1
InChIInChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3
InChIKeyJVCZVQQCJMWPNJ-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-3-phenylcyclohex-3-en-1-amine
CID 175905363
(3-phenylcyclohex-3-en-1-yl)methanol
CID 15185954
5-methyl-2-phenylcyclohepta-1,3-diene
CID 143994099
(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 123913209
1,5-dimethylcyclohexene
CID 520362
(5R,6S)-5-diphenylphosphoryl-1,6-diphenylcycloheptene
CID 102091489
N-diphenylphosphoryl-1-(3-phenylcyclohex-3-en-1-yl)methanamine
CID 24808217
5-methyl-1,3-diphenylcyclohexa-1,3-diene
CID 154531936
4-(5-methylcyclohexen-1-yl)pyridin-3-amine
CID 123509012
(5S)-5-methylcyclohexen-1-amine
CID 163541060
(5E)-8-acetyl-6-phenyl-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 135069444
2-methyl-1,2,3,5,6,7-hexahydroazulene
CID 142052092

Frequently Asked Questions

What is the IUPAC name of (5-methylcyclohexen-1-yl)benzene?
The IUPAC name of (5-methylcyclohexen-1-yl)benzene (CID 56998306) is (5-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for (5-methylcyclohexen-1-yl)benzene?
The canonical SMILES for (5-methylcyclohexen-1-yl)benzene is CC1CCC=C(c2ccccc2)C1.
What is the InChIKey of (5-methylcyclohexen-1-yl)benzene?
The InChIKey is JVCZVQQCJMWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3.
What are the key properties of (5-methylcyclohexen-1-yl)benzene?
(5-methylcyclohexen-1-yl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 56998306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).