[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol

C8H15ClO — CID 12025974

IUPAC[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol
SMILESCCCC[C@H]1C[C@]1(Cl)CO
InChIInChI=1S/C8H15ClO/c1-2-3-4-7-5-8(7,9)6-10/h7,10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyLAKXDGWEECUVNN-YUMQZZPRSA-N
MW162.66 g/mol
LogP2.17
Rot. Bonds4

About [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol

[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol (PubChem CID 12025974) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol
PubChem CID12025974
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol
SMILESCCCC[C@H]1C[C@]1(Cl)CO
InChIInChI=1S/C8H15ClO/c1-2-3-4-7-5-8(7,9)6-10/h7,10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyLAKXDGWEECUVNN-YUMQZZPRSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-2-butylcyclopropyl)methanol
CID 10726049
[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride
CID 10726048
1,1-dichloro-2-octylcyclopropane
CID 10799099
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
2-[2-[[(1S)-2-butyl-1-methylcyclopropyl]methyl]hydrazinyl]ethanol
CID 130238554
(2-butyl-1-phenoxycyclopropyl)oxybenzene
CID 11065916
2-butyl-1-methyl-1-nitrosocyclopropane
CID 88564371
1,1-dimethyl-2-octylcyclopropane
CID 15329257
(1-amino-2-butylcyclopropyl)phosphonic acid
CID 102050175
1,1-dibromo-2-octylcyclopropane
CID 2780238
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol (CID 12025974) is [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol is CCCC[C@H]1C[C@]1(Cl)CO.
What is the InChIKey of [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol?
The InChIKey is LAKXDGWEECUVNN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15ClO/c1-2-3-4-7-5-8(7,9)6-10/h7,10H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol?
[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol has a molecular weight of 162.66 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol is sourced from PubChem (CID 12025974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).