(E)-1-cyclohexyl-5-methylhex-1-en-3-one

C13H22O — CID 11333035

IUPAC(E)-1-cyclohexyl-5-methylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C13H22O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+
InChIKeyLNGQMWUGNJKXFW-CMDGGOBGSA-N
MW194.32 g/mol
LogP3.74
Rot. Bonds4

About (E)-1-cyclohexyl-5-methylhex-1-en-3-one

(E)-1-cyclohexyl-5-methylhex-1-en-3-one (PubChem CID 11333035) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-1-cyclohexyl-5-methylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-1-cyclohexyl-5-methylhex-1-en-3-one
PubChem CID11333035
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(E)-1-cyclohexyl-5-methylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C13H22O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+
InChIKeyLNGQMWUGNJKXFW-CMDGGOBGSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-cyclohexyl-5-methylhex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
3-cyclohexylprop-2-enamide
CID 54292987
6-methylhept-2-en-4-one
CID 54395514
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
CID 131248590
(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
CID 138512244
2-methylpropyl (E)-3-(4-formylcyclohexyl)prop-2-enoate
CID 143209591
propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
(Z)-3-cyclobutylprop-2-enoic acid
CID 97289893

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-5-methylhex-1-en-3-one?
The IUPAC name of (E)-1-cyclohexyl-5-methylhex-1-en-3-one (CID 11333035) is (E)-1-cyclohexyl-5-methylhex-1-en-3-one.
What is the SMILES notation for (E)-1-cyclohexyl-5-methylhex-1-en-3-one?
The canonical SMILES for (E)-1-cyclohexyl-5-methylhex-1-en-3-one is CC(C)CC(=O)/C=C/C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-5-methylhex-1-en-3-one?
The InChIKey is LNGQMWUGNJKXFW-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3/b9-8+.
What are the key properties of (E)-1-cyclohexyl-5-methylhex-1-en-3-one?
(E)-1-cyclohexyl-5-methylhex-1-en-3-one has a molecular weight of 194.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-5-methylhex-1-en-3-one is sourced from PubChem (CID 11333035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).