2-(cyclohexylidenemethyl)-3-methylinden-1-one

C17H18O — CID 134946531

IUPAC2-(cyclohexylidenemethyl)-3-methylinden-1-one
SMILESCC1=C(C=C2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C17H18O/c1-12-14-9-5-6-10-15(14)17(18)16(12)11-13-7-3-2-4-8-13/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyDMPOCMVFPPXSMB-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.55
Rot. Bonds1

About 2-(cyclohexylidenemethyl)-3-methylinden-1-one

2-(cyclohexylidenemethyl)-3-methylinden-1-one (PubChem CID 134946531) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(cyclohexylidenemethyl)-3-methylinden-1-one.

Molecular Properties

Compound Name2-(cyclohexylidenemethyl)-3-methylinden-1-one
PubChem CID134946531
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-(cyclohexylidenemethyl)-3-methylinden-1-one
SMILESCC1=C(C=C2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C17H18O/c1-12-14-9-5-6-10-15(14)17(18)16(12)11-13-7-3-2-4-8-13/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyDMPOCMVFPPXSMB-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(cyclohexylidenemethyl)aniline
CID 19754672
2-[2-[3-[2-(1,3-dioxoinden-2-ylidene)ethylidene]-2-methylcyclohexen-1-yl]ethylidene]indene-1,3-dione
CID 91580588
6-N-[4-(cyclohexylidenemethyl)phenyl]-2-N,2-N,6-N-tris(4-methylphenyl)tetraphenylene-2,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethyl)-3-methylinden-1-one?
The IUPAC name of 2-(cyclohexylidenemethyl)-3-methylinden-1-one (CID 134946531) is 2-(cyclohexylidenemethyl)-3-methylinden-1-one.
What is the SMILES notation for 2-(cyclohexylidenemethyl)-3-methylinden-1-one?
The canonical SMILES for 2-(cyclohexylidenemethyl)-3-methylinden-1-one is CC1=C(C=C2CCCCC2)C(=O)c2ccccc21.
What is the InChIKey of 2-(cyclohexylidenemethyl)-3-methylinden-1-one?
The InChIKey is DMPOCMVFPPXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-14-9-5-6-10-15(14)17(18)16(12)11-13-7-3-2-4-8-13/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 2-(cyclohexylidenemethyl)-3-methylinden-1-one?
2-(cyclohexylidenemethyl)-3-methylinden-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethyl)-3-methylinden-1-one is sourced from PubChem (CID 134946531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).