[(1S,2S)-2-octylcyclopropyl]methanol

C12H24O — CID 121360287

IUPAC[(1S,2S)-2-octylcyclopropyl]methanol
SMILESCCCCCCCC[C@H]1C[C@@H]1CO
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-11-9-12(11)10-13/h11-13H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyWMLNTZCXPCPNDP-NWDGAFQWSA-N
MW184.32 g/mol
LogP3.37
Rot. Bonds8

About [(1S,2S)-2-octylcyclopropyl]methanol

[(1S,2S)-2-octylcyclopropyl]methanol (PubChem CID 121360287) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is [(1S,2S)-2-octylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-octylcyclopropyl]methanol
PubChem CID121360287
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name[(1S,2S)-2-octylcyclopropyl]methanol
SMILESCCCCCCCC[C@H]1C[C@@H]1CO
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-11-9-12(11)10-13/h11-13H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyWMLNTZCXPCPNDP-NWDGAFQWSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.37
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

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
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-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-octylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-octylcyclopropyl]methanol (CID 121360287) is [(1S,2S)-2-octylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-octylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-octylcyclopropyl]methanol is CCCCCCCC[C@H]1C[C@@H]1CO.
What is the InChIKey of [(1S,2S)-2-octylcyclopropyl]methanol?
The InChIKey is WMLNTZCXPCPNDP-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-11-9-12(11)10-13/h11-13H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(1S,2S)-2-octylcyclopropyl]methanol?
[(1S,2S)-2-octylcyclopropyl]methanol has a molecular weight of 184.32 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-octylcyclopropyl]methanol is sourced from PubChem (CID 121360287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).