2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol

C11H20O — CID 11378731

IUPAC2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol
SMILESCCCC[C@H]1C=CC[C@H]1CCO
InChIInChI=1S/C11H20O/c1-2-3-5-10-6-4-7-11(10)8-9-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyPGPZODGFBHQWHO-QWRGUYRKSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds5

About 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol

2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol (PubChem CID 11378731) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol
PubChem CID11378731
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol
SMILESCCCC[C@H]1C=CC[C@H]1CCO
InChIInChI=1S/C11H20O/c1-2-3-5-10-6-4-7-11(10)8-9-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyPGPZODGFBHQWHO-QWRGUYRKSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

p-MENTH-1-EN-9-OL
CID 86753
Sandalore
CID 103212
Isocyclogeraniol
CID 109458
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
Cyclopentanol, 2-(2-hexen-1-yl)-
CID 6438069
alpha-Ethyl-3-cyclooctene-1-methanol
CID 66934567
2-Cyclohexene-1-methanol, 4-(1-methylethyl)-
CID 564463
p-Menth-3-en-9-ol
CID 579276
14-Methyl-8-hexadecen-1-ol
CID 5283286

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol (CID 11378731) is 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol is CCCC[C@H]1C=CC[C@H]1CCO.
What is the InChIKey of 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol?
The InChIKey is PGPZODGFBHQWHO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-5-10-6-4-7-11(10)8-9-12/h4,6,10-12H,2-3,5,7-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol?
2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol is sourced from PubChem (CID 11378731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).