(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one

C18H32O — CID 11097438

IUPAC(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one
SMILESCCCC/C=C(/CCC(C)=O)[C@H](C)C1CCCCC1
InChIInChI=1S/C18H32O/c1-4-5-7-10-18(14-13-15(2)19)16(3)17-11-8-6-9-12-17/h10,16-17H,4-9,11-14H2,1-3H3/b18-10-/t16-/m1/s1
InChIKeyRKKYDNPZEFKZMT-LTKMBJGESA-N
MW264.45 g/mol
LogP5.69
Rot. Bonds8

About (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one

(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one (PubChem CID 11097438) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one.

Molecular Properties

Compound Name(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one
PubChem CID11097438
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one
SMILESCCCC/C=C(/CCC(C)=O)[C@H](C)C1CCCCC1
InChIInChI=1S/C18H32O/c1-4-5-7-10-18(14-13-15(2)19)16(3)17-11-8-6-9-12-17/h10,16-17H,4-9,11-14H2,1-3H3/b18-10-/t16-/m1/s1
InChIKeyRKKYDNPZEFKZMT-LTKMBJGESA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-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)-3-ethylpent-3-en-2-yl]cyclopentane
CID 163565221
N-butyl-2-cyclopentylpropanamide
CID 173178636
ethyl 2-cyclopentylpropanoate
CID 10654733
cyclohexane;heptan-2-one
CID 159731064
(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane
CID 123248787
2-methylhexan-3-one;propan-2-ylcyclohexane
CID 166117967
1-cycloheptylethyl undecanoate
CID 173328758
1-cyclohexylethyl tridecanoate
CID 173328864
butane;butylcyclohexane;pentan-2-one
CID 142809149
but-1-ene;(5E)-5-[(E)-2-cyclopentylpent-2-en-3-yl]-3-methyldeca-1,5-dien-4-one;ethane;octane-2,7-dione
CID 142387936
[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 134903837
2-cyclohexylpropanoyl chloride
CID 3016042

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one?
The IUPAC name of (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one (CID 11097438) is (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one.
What is the SMILES notation for (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one?
The canonical SMILES for (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one is CCCC/C=C(/CCC(C)=O)[C@H](C)C1CCCCC1.
What is the InChIKey of (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one?
The InChIKey is RKKYDNPZEFKZMT-LTKMBJGESA-N. The full InChI is InChI=1S/C18H32O/c1-4-5-7-10-18(14-13-15(2)19)16(3)17-11-8-6-9-12-17/h10,16-17H,4-9,11-14H2,1-3H3/b18-10-/t16-/m1/s1.
What are the key properties of (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one?
(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one has a molecular weight of 264.45 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one is sourced from PubChem (CID 11097438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).