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

C15H18 — CID 144508719

IUPAC1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=C(c2cc(C)ccc2C)C=CCC1
InChIInChI=1S/C15H18/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2/h5,7-10H,4,6H2,1-3H3
InChIKeyGWOPZFUCSAHTGI-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.43
Rot. Bonds1

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

1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 144508719) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID144508719
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=C(c2cc(C)ccc2C)C=CCC1
InChIInChI=1S/C15H18/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2/h5,7-10H,4,6H2,1-3H3
InChIKeyGWOPZFUCSAHTGI-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene (CID 144508719) is 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene is CC1=C(c2cc(C)ccc2C)C=CCC1.
What is the InChIKey of 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is GWOPZFUCSAHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-8-9-13(3)15(10-11)14-7-5-4-6-12(14)2/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 198.31 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 144508719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).