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

C7H14O — CID 14453674

IUPACcis-(1S,2S)-2-butylcyclopropan-1-ol
SMILESCCCC[C@H]1C[C@@H]1O
InChIInChI=1S/C7H14O/c1-2-3-4-6-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyPFKHHAURVIJHMH-BQBZGAKWSA-N
MW114.19 g/mol
LogP1.56
Rot. Bonds3

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

cis-(1S,2S)-2-butylcyclopropan-1-ol (PubChem CID 14453674) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is cis-(1S,2S)-2-butylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-butylcyclopropan-1-ol
PubChem CID14453674
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namecis-(1S,2S)-2-butylcyclopropan-1-ol
SMILESCCCC[C@H]1C[C@@H]1O
InChIInChI=1S/C7H14O/c1-2-3-4-6-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyPFKHHAURVIJHMH-BQBZGAKWSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
4-butylthiolan-3-ol
CID 83190040
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(3R)-4-hexylcyclohexane-1,3-diol
CID 90224141
3,4-dibutylcyclohexan-1-ol
CID 71347162
trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol
CID 129391118
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
4-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534220

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-butylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2S)-2-butylcyclopropan-1-ol (CID 14453674) is cis-(1S,2S)-2-butylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-butylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-butylcyclopropan-1-ol is CCCC[C@H]1C[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-butylcyclopropan-1-ol?
The InChIKey is PFKHHAURVIJHMH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O/c1-2-3-4-6-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of cis-(1S,2S)-2-butylcyclopropan-1-ol?
cis-(1S,2S)-2-butylcyclopropan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-butylcyclopropan-1-ol is sourced from PubChem (CID 14453674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).