cis-(1S,2S)-2-hexylcyclopropan-1-ol

C9H18O — CID 14921308

IUPACcis-(1S,2S)-2-hexylcyclopropan-1-ol
SMILESCCCCCC[C@H]1C[C@@H]1O
InChIInChI=1S/C9H18O/c1-2-3-4-5-6-8-7-9(8)10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyOSMXAJFWVRGXIM-IUCAKERBSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds5

About cis-(1S,2S)-2-hexylcyclopropan-1-ol

cis-(1S,2S)-2-hexylcyclopropan-1-ol (PubChem CID 14921308) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is cis-(1S,2S)-2-hexylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-hexylcyclopropan-1-ol
PubChem CID14921308
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namecis-(1S,2S)-2-hexylcyclopropan-1-ol
SMILESCCCCCC[C@H]1C[C@@H]1O
InChIInChI=1S/C9H18O/c1-2-3-4-5-6-8-7-9(8)10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyOSMXAJFWVRGXIM-IUCAKERBSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
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

3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
Isooctan-1-ol
CID 15450
2-Methyloctanol
CID 102495
1-Cyclohexylethanol
CID 137829
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Propyl-1-heptanol
CID 24847
Isotridecan-1-ol
CID 33865
7-Ethyl-2-methyl-4-undecanol
CID 97948
Isodecanol
CID 32898
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-hexylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2S)-2-hexylcyclopropan-1-ol (CID 14921308) is cis-(1S,2S)-2-hexylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-hexylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-hexylcyclopropan-1-ol is CCCCCC[C@H]1C[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-hexylcyclopropan-1-ol?
The InChIKey is OSMXAJFWVRGXIM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18O/c1-2-3-4-5-6-8-7-9(8)10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of cis-(1S,2S)-2-hexylcyclopropan-1-ol?
cis-(1S,2S)-2-hexylcyclopropan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-hexylcyclopropan-1-ol is sourced from PubChem (CID 14921308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).