cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one

C17H28O2 — CID 135044296

IUPACcis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one
SMILESC=C(CCCO)[C@@]1(C)C(=O)CC[C@@H]1CCC=C(C)C
InChIInChI=1S/C17H28O2/c1-13(2)7-5-9-15-10-11-16(19)17(15,4)14(3)8-6-12-18/h7,15,18H,3,5-6,8-12H2,1-2,4H3/t15-,17+/m0/s1
InChIKeyYYNXKFMVGFWIPN-DOTOQJQBSA-N
MW264.41 g/mol
LogP4.05
Rot. Bonds7

About cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one

cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one (PubChem CID 135044296) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one
PubChem CID135044296
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namecis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one
SMILESC=C(CCCO)[C@@]1(C)C(=O)CC[C@@H]1CCC=C(C)C
InChIInChI=1S/C17H28O2/c1-13(2)7-5-9-15-10-11-16(19)17(15,4)14(3)8-6-12-18/h7,15,18H,3,5-6,8-12H2,1-2,4H3/t15-,17+/m0/s1
InChIKeyYYNXKFMVGFWIPN-DOTOQJQBSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-Hydroxysolavetivone
CID 25200393
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
CID 73810597
9-Oxo-24-methylene-9,11-seco-cholest-5-en-3beta,11-diol
CID 23255012
12-Hydroxy-chiloscyphone
CID 10243131
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 118284
Oxysolavetivone
CID 74427721
(3aS,5aR,6R,9aS,10aR)-6-hydroxy-5a,9,10a-trimethyl-3-propan-2-ylidene-1,3a,4,5,6,7,9a,10-octahydrobenzo[f]azulen-2-one
CID 46887663
Rhodocorane K
CID 156017766
Isolitseane B
CID 5279292
(3aR,5S,9E,12aS)-5-hydroxy-3a,10-dimethyl-6-methylidene-1-propan-2-ylidene-3,4,5,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-one
CID 46833126
(4R)-4-[(3R)-3,4-dihydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 156011196
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 15601421

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one (CID 135044296) is cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one is C=C(CCCO)[C@@]1(C)C(=O)CC[C@@H]1CCC=C(C)C.
What is the InChIKey of cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one?
The InChIKey is YYNXKFMVGFWIPN-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H28O2/c1-13(2)7-5-9-15-10-11-16(19)17(15,4)14(3)8-6-12-18/h7,15,18H,3,5-6,8-12H2,1-2,4H3/t15-,17+/m0/s1.
What are the key properties of cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one?
cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one has a molecular weight of 264.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-(5-hydroxypent-1-en-2-yl)-2-methyl-3-(4-methylpent-3-enyl)cyclopentan-1-one is sourced from PubChem (CID 135044296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).