cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one

C10H16O2 — CID 10877519

IUPACcis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
SMILESC=CCC[C@]1(C)C(=O)CC[C@@H]1O
InChIInChI=1S/C10H16O2/c1-3-4-7-10(2)8(11)5-6-9(10)12/h3,8,11H,1,4-7H2,2H3/t8-,10-/m0/s1
InChIKeyRKGYWSQHFIIWGP-WPRPVWTQSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds3

About cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one

cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one (PubChem CID 10877519) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
PubChem CID10877519
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
SMILESC=CCC[C@]1(C)C(=O)CC[C@@H]1O
InChIInChI=1S/C10H16O2/c1-3-4-7-10(2)8(11)5-6-9(10)12/h3,8,11H,1,4-7H2,2H3/t8-,10-/m0/s1
InChIKeyRKGYWSQHFIIWGP-WPRPVWTQSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
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

cis-(2R,3R)-2-[(1S)-1-hydroxy-2,2-dimethylpent-4-enyl]-3-prop-1-en-2-ylcyclopentan-1-one
CID 53466025
2-(1-Hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
CID 10488674
AG-G-84719
CID 11367120
(2r,3s)-2-Allyl-3-hydroxy-2-methylcyclopentanone
CID 11159432
cis-(2R,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 13407451
cis-3-Hydroxy-2-propyl-2-methylcyclopentanone
CID 13809465
(2r,3s)-3-Hydroxy-2-methyl-2-propylcyclopentanone
CID 13809466
(4R,8S)-8-hydroxy-4-methylundec-1-en-6-one
CID 44477943
(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one
CID 102050996
1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone
CID 102051000
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclohexyl]ethanone
CID 102411826

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one (CID 10877519) is cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one is C=CCC[C@]1(C)C(=O)CC[C@@H]1O.
What is the InChIKey of cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
The InChIKey is RKGYWSQHFIIWGP-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-7-10(2)8(11)5-6-9(10)12/h3,8,11H,1,4-7H2,2H3/t8-,10-/m0/s1.
What are the key properties of cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one?
cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one is sourced from PubChem (CID 10877519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).