2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one

C19H20O — CID 87645670

IUPAC2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one
SMILESC=c1ccc2c(c1)C(C)(C)C=C(C1=CCCCC1=O)C=2
InChIInChI=1S/C19H20O/c1-13-8-9-14-11-15(12-19(2,3)17(14)10-13)16-6-4-5-7-18(16)20/h6,8-12H,1,4-5,7H2,2-3H3
InChIKeyWDQITOAWGCJXHI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.77
Rot. Bonds1

About 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one

2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one (PubChem CID 87645670) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one
PubChem CID87645670
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one
SMILESC=c1ccc2c(c1)C(C)(C)C=C(C1=CCCCC1=O)C=2
InChIInChI=1S/C19H20O/c1-13-8-9-14-11-15(12-19(2,3)17(14)10-13)16-6-4-5-7-18(16)20/h6,8-12H,1,4-5,7H2,2-3H3
InChIKeyWDQITOAWGCJXHI-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one (CID 87645670) is 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one is C=c1ccc2c(c1)C(C)(C)C=C(C1=CCCCC1=O)C=2.
What is the InChIKey of 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one?
The InChIKey is WDQITOAWGCJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-13-8-9-14-11-15(12-19(2,3)17(14)10-13)16-6-4-5-7-18(16)20/h6,8-12H,1,4-5,7H2,2-3H3.
What are the key properties of 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one?
2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-6-methylidenenaphthalen-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 87645670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).