1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone

C10H14O — CID 89336336

IUPAC1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
SMILESCC(=O)C1=CC(C)C(C)C=C1
InChIInChI=1S/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-8H,1-3H3
InChIKeyZQYBFQVPYQKIMI-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds1

About 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone

1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone (PubChem CID 89336336) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
PubChem CID89336336
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
SMILESCC(=O)C1=CC(C)C(C)C=C1
InChIInChI=1S/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-8H,1-3H3
InChIKeyZQYBFQVPYQKIMI-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
The IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone (CID 89336336) is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone is CC(=O)C1=CC(C)C(C)C=C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
The InChIKey is ZQYBFQVPYQKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-8H,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone has a molecular weight of 150.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone is sourced from PubChem (CID 89336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).