(2Z)-2-pentylidenecyclohexan-1-one

C11H18O — CID 6438041

IUPAC(2Z)-2-pentylidenecyclohexan-1-one
SMILESCCCC/C=C1/CCCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7-
InChIKeyKTETXLGRNPACFS-YFHOEESVSA-N
MW166.26 g/mol
LogP3.25
Rot. Bonds3

About (2Z)-2-pentylidenecyclohexan-1-one

(2Z)-2-pentylidenecyclohexan-1-one (PubChem CID 6438041) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2Z)-2-pentylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-pentylidenecyclohexan-1-one
PubChem CID6438041
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2Z)-2-pentylidenecyclohexan-1-one
SMILESCCCC/C=C1/CCCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7-
InChIKeyKTETXLGRNPACFS-YFHOEESVSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-cyclohexen-1-one
CID 14511
Piperitenone
CID 381152
2-Nonen-4-one, (2E)-
CID 448996
2-Cyclopenten-1-one, 2-pentyl-
CID 117549
3-Methyl-5-propylcyclohex-2-en-1-one
CID 3782139
2-Hexylidenecyclopentanone
CID 6385721
2-Hexyl-2-cyclopenten-1-one
CID 66768
1-Acetylcyclohexene
CID 13612
2-(3,7-Dimethylocta-2,6-dien-1-yl)-6-methylbenzo-1,4-quinone
CID 642530
2-Pentylidenecyclohexan-1-one
CID 117600
Turmerone
CID 14367555
2-Cyclohexen-1-one, 2-methyl-
CID 136887

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-pentylidenecyclohexan-1-one?
The IUPAC name of (2Z)-2-pentylidenecyclohexan-1-one (CID 6438041) is (2Z)-2-pentylidenecyclohexan-1-one.
What is the SMILES notation for (2Z)-2-pentylidenecyclohexan-1-one?
The canonical SMILES for (2Z)-2-pentylidenecyclohexan-1-one is CCCC/C=C1/CCCCC1=O.
What is the InChIKey of (2Z)-2-pentylidenecyclohexan-1-one?
The InChIKey is KTETXLGRNPACFS-YFHOEESVSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7-.
What are the key properties of (2Z)-2-pentylidenecyclohexan-1-one?
(2Z)-2-pentylidenecyclohexan-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-pentylidenecyclohexan-1-one is sourced from PubChem (CID 6438041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).