1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone

C12H20O2 — CID 102051000

IUPAC1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone
SMILESC=C(C)CC[C@]1(C(C)=O)CCC[C@H]1O
InChIInChI=1S/C12H20O2/c1-9(2)6-8-12(10(3)13)7-4-5-11(12)14/h11,14H,1,4-8H2,2-3H3/t11-,12+/m1/s1
InChIKeyOJVSBLHDMZMCDO-NEPJUHHUSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds4

About 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone

1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone (PubChem CID 102051000) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone
PubChem CID102051000
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone
SMILESC=C(C)CC[C@]1(C(C)=O)CCC[C@H]1O
InChIInChI=1S/C12H20O2/c1-9(2)6-8-12(10(3)13)7-4-5-11(12)14/h11,14H,1,4-8H2,2-3H3/t11-,12+/m1/s1
InChIKeyOJVSBLHDMZMCDO-NEPJUHHUSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
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
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
1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclohexyl]ethanone
CID 102050997
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
cis-(2S,3S)-3-hydroxy-2-methyl-2-(3-methylbut-2-enyl)cyclopentan-1-one
CID 164671578
3-Hydroxy-2-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 342741
trans-methyl (1S,2R)-1-but-3-enyl-2-hydroxycyclopentane-1-carboxylate
CID 10821808
cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 10877519
6-Hydroxy-2,5,5-trimethylhept-1-en-4-one
CID 13894157
1-[(1S,2R,4S)-2-hydroxy-4-prop-1-en-2-ylcyclopentyl]ethanone
CID 45086456

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone (CID 102051000) is 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone is C=C(C)CC[C@]1(C(C)=O)CCC[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone?
The InChIKey is OJVSBLHDMZMCDO-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)6-8-12(10(3)13)7-4-5-11(12)14/h11,14H,1,4-8H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone?
1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone is sourced from PubChem (CID 102051000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).