1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene

C14H16 — CID 142604826

IUPAC1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCc1ccccc1C1=CCC(C)C=C1
InChIInChI=1S/C14H16/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h3-7,9-11H,8H2,1-2H3
InChIKeyYZLKNZMOQGRREM-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.97
Rot. Bonds1

About 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene

1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 142604826) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID142604826
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCc1ccccc1C1=CCC(C)C=C1
InChIInChI=1S/C14H16/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h3-7,9-11H,8H2,1-2H3
InChIKeyYZLKNZMOQGRREM-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene (CID 142604826) is 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene is Cc1ccccc1C1=CCC(C)C=C1.
What is the InChIKey of 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is YZLKNZMOQGRREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene?
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 184.28 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 142604826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).