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

C15H30O — CID 14921306

IUPACcis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
SMILESCCCCCC[C@H]1C[C@@]1(O)CCCCCC
InChIInChI=1S/C15H30O/c1-3-5-7-9-11-14-13-15(14,16)12-10-8-6-4-2/h14,16H,3-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyICNQPBPXEYKVQX-GJZGRUSLSA-N
MW226.40 g/mol
LogP4.68
Rot. Bonds10

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

cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol (PubChem CID 14921306) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
PubChem CID14921306
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Namecis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
SMILESCCCCCC[C@H]1C[C@@]1(O)CCCCCC
InChIInChI=1S/C15H30O/c1-3-5-7-9-11-14-13-15(14,16)12-10-8-6-4-2/h14,16H,3-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyICNQPBPXEYKVQX-GJZGRUSLSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.68
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-ethyl-1-hexylcyclopropan-1-ol
CID 85299282
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1,1-dimethyl-2-octylcyclopropane
CID 15329257
1,1-dibromo-2-octylcyclopropane
CID 2780238
1,1-dichloro-2-octylcyclopropane
CID 10799099
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
2-heptyl-1-octylcyclopropane-1-carboxamide
CID 57359731
cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
CID 102019528
1-heptadecylcyclopropan-1-ol
CID 2802251
1-(2-methoxyethyl)-2-propylcyclopropan-1-ol
CID 79333654
2,4,4-trimethyl-1-octylcyclohexan-1-ol
CID 81315445
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol (CID 14921306) is cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol is CCCCCC[C@H]1C[C@@]1(O)CCCCCC.
What is the InChIKey of cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol?
The InChIKey is ICNQPBPXEYKVQX-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-7-9-11-14-13-15(14,16)12-10-8-6-4-2/h14,16H,3-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol?
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol is sourced from PubChem (CID 14921306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).