2-[(1S,2S)-2-hexylcyclopropyl]ethanol

C11H22O — CID 71388478

IUPAC2-[(1S,2S)-2-hexylcyclopropyl]ethanol
SMILESCCCCCC[C@H]1C[C@H]1CCO
InChIInChI=1S/C11H22O/c1-2-3-4-5-6-10-9-11(10)7-8-12/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyWCYLOFFSCRXLQJ-WDEREUQCSA-N
MW170.30 g/mol
LogP2.98
Rot. Bonds7

About 2-[(1S,2S)-2-hexylcyclopropyl]ethanol

2-[(1S,2S)-2-hexylcyclopropyl]ethanol (PubChem CID 71388478) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hexylcyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2S)-2-hexylcyclopropyl]ethanol
PubChem CID71388478
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-[(1S,2S)-2-hexylcyclopropyl]ethanol
SMILESCCCCCC[C@H]1C[C@H]1CCO
InChIInChI=1S/C11H22O/c1-2-3-4-5-6-10-9-11(10)7-8-12/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyWCYLOFFSCRXLQJ-WDEREUQCSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
1-propyl-2-undecylcyclopropane
CID 123636027
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol
CID 139967974
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hexylcyclopropyl]ethanol?
The IUPAC name of 2-[(1S,2S)-2-hexylcyclopropyl]ethanol (CID 71388478) is 2-[(1S,2S)-2-hexylcyclopropyl]ethanol.
What is the SMILES notation for 2-[(1S,2S)-2-hexylcyclopropyl]ethanol?
The canonical SMILES for 2-[(1S,2S)-2-hexylcyclopropyl]ethanol is CCCCCC[C@H]1C[C@H]1CCO.
What is the InChIKey of 2-[(1S,2S)-2-hexylcyclopropyl]ethanol?
The InChIKey is WCYLOFFSCRXLQJ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-4-5-6-10-9-11(10)7-8-12/h10-12H,2-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hexylcyclopropyl]ethanol?
2-[(1S,2S)-2-hexylcyclopropyl]ethanol has a molecular weight of 170.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hexylcyclopropyl]ethanol is sourced from PubChem (CID 71388478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).