(4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one

C12H18O2 — CID 11469614

IUPAC(4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one
SMILESCO[C@@H]1C=C(C2CCCCC2)C(=O)C1
InChIInChI=1S/C12H18O2/c1-14-10-7-11(12(13)8-10)9-5-3-2-4-6-9/h7,9-10H,2-6,8H2,1H3/t10-/m1/s1
InChIKeyYWTBINVCEKMXHN-SNVBAGLBSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

About (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one

(4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one (PubChem CID 11469614) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one
PubChem CID11469614
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one
SMILESCO[C@@H]1C=C(C2CCCCC2)C(=O)C1
InChIInChI=1S/C12H18O2/c1-14-10-7-11(12(13)8-10)9-5-3-2-4-6-9/h7,9-10H,2-6,8H2,1H3/t10-/m1/s1
InChIKeyYWTBINVCEKMXHN-SNVBAGLBSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Davanone
CID 519782
2-Hydroxyisodavanone D
CID 12132773
Hydroxydavanone
CID 5477854
trans-Hydroxydavanone
CID 102441806
Davanone D
CID 88556
Gersemolide
CID 12000066
Ipomeamaronolide
CID 101593496
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
(5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one
CID 16089942
(5S,S)-5-methyl-3-(6-methyloctyl)furan-2(5H)-one
CID 16090230
(5S,S)-5-methyl-3-(7-methylnonyl)furan-2(5H)-one
CID 16090231
4-Hepten-3-one, 2-[(2S,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-6-hydroxy-6-methyl-, (2R,4E)-
CID 71744967

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one?
The IUPAC name of (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one (CID 11469614) is (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one.
What is the SMILES notation for (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one?
The canonical SMILES for (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one is CO[C@@H]1C=C(C2CCCCC2)C(=O)C1.
What is the InChIKey of (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one?
The InChIKey is YWTBINVCEKMXHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-10-7-11(12(13)8-10)9-5-3-2-4-6-9/h7,9-10H,2-6,8H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one?
(4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclohexyl-4-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 11469614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).