1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol

C12H20O2 — CID 134864155

IUPAC1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol
SMILESC=C[C@H]1CCC([C@@H]2CO2)[C@]1(C)C(C)O
InChIInChI=1S/C12H20O2/c1-4-9-5-6-10(11-7-14-11)12(9,3)8(2)13/h4,8-11,13H,1,5-7H2,2-3H3/t8?,9-,10?,11-,12+/m0/s1
InChIKeyUUMFSIAJZROMQL-PGTPCPKXSA-N
MW196.29 g/mol
LogP1.98
Rot. Bonds3

About 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol

1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol (PubChem CID 134864155) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol.

Molecular Properties

Compound Name1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol
PubChem CID134864155
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol
SMILESC=C[C@H]1CCC([C@@H]2CO2)[C@]1(C)C(C)O
InChIInChI=1S/C12H20O2/c1-4-9-5-6-10(11-7-14-11)12(9,3)8(2)13/h4,8-11,13H,1,5-7H2,2-3H3/t8?,9-,10?,11-,12+/m0/s1
InChIKeyUUMFSIAJZROMQL-PGTPCPKXSA-N
XLogP1.98
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,6S,9R,10E,12R,15R)-15-(2-hydroxypropan-2-yl)-4,9,12-trimethyl-5-oxatricyclo[10.3.0.04,6]pentadec-10-en-2-ol
CID 162887027
(1R,2S,5S)-2-(2-hydroxypent-4-enyl)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentan-1-ol
CID 49871418
(1S)-1-[(1S,2R)-2-[(1S)-1-hydroxyethyl]-1-methylcyclopentyl]but-3-en-1-ol
CID 90925683
1-[(1s,2R,5S)-2,5-Diethenyl-1-methylcyclopentyl]ethan-1-ol
CID 130918738
trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134860985
cis-(1R,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134861047
1-[(1S,2S)-2-ethenyl-1,3,3-trimethylcyclopentyl]but-3-en-2-ol
CID 134889542
1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol
CID 135017268
1-[(1S,2S)-2-ethenyl-1-methyl-5-[(2S)-oxiran-2-yl]cyclopentyl]ethanol
CID 135036652
1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol
CID 135036759
2-(2,2,3-Trimethylcyclopentyl)pent-4-en-1-ol
CID 22914104
3-(2,2,3-Trimethylcyclopentyl)hex-5-en-2-ol
CID 22914135

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol?
The IUPAC name of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol (CID 134864155) is 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol.
What is the SMILES notation for 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol?
The canonical SMILES for 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol is C=C[C@H]1CCC([C@@H]2CO2)[C@]1(C)C(C)O.
What is the InChIKey of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol?
The InChIKey is UUMFSIAJZROMQL-PGTPCPKXSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-9-5-6-10(11-7-14-11)12(9,3)8(2)13/h4,8-11,13H,1,5-7H2,2-3H3/t8?,9-,10?,11-,12+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol?
1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol has a molecular weight of 196.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol is sourced from PubChem (CID 134864155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).