(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one

C18H22O — CID 68642899

IUPAC(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one
SMILESO=C1CC(C2CCCC2)CC/C1=C/c1ccccc1
InChIInChI=1S/C18H22O/c19-18-13-16(15-8-4-5-9-15)10-11-17(18)12-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/b17-12-
InChIKeyNGCPLHCMIAPKJK-ATVHPVEESA-N
MW254.37 g/mol
LogP4.63
Rot. Bonds2

About (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one

(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one (PubChem CID 68642899) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one
PubChem CID68642899
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one
SMILESO=C1CC(C2CCCC2)CC/C1=C/c1ccccc1
InChIInChI=1S/C18H22O/c19-18-13-16(15-8-4-5-9-15)10-11-17(18)12-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/b17-12-
InChIKeyNGCPLHCMIAPKJK-ATVHPVEESA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one?
The IUPAC name of (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one (CID 68642899) is (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one.
What is the SMILES notation for (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one?
The canonical SMILES for (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one is O=C1CC(C2CCCC2)CC/C1=C/c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one?
The InChIKey is NGCPLHCMIAPKJK-ATVHPVEESA-N. The full InChI is InChI=1S/C18H22O/c19-18-13-16(15-8-4-5-9-15)10-11-17(18)12-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/b17-12-.
What are the key properties of (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one?
(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one has a molecular weight of 254.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one is sourced from PubChem (CID 68642899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).