(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol

C12H24O2 — CID 121465824

IUPAC(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol
SMILESCCCCO[C@@H](C)[C@H](O)C1CCCC1
InChIInChI=1S/C12H24O2/c1-3-4-9-14-10(2)12(13)11-7-5-6-8-11/h10-13H,3-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyKCWFXDNUCJDMGY-JQWIXIFHSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds6

About (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol

(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol (PubChem CID 121465824) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol
PubChem CID121465824
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol
SMILESCCCCO[C@@H](C)[C@H](O)C1CCCC1
InChIInChI=1S/C12H24O2/c1-3-4-9-14-10(2)12(13)11-7-5-6-8-11/h10-13H,3-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyKCWFXDNUCJDMGY-JQWIXIFHSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butoxy(cyclohexyl)methanol
CID 89347064
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-propoxyethylcyclopentane
CID 159612357
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
(2R,3S)-3-butoxy-2-methylbutanoyl chloride
CID 57059107
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-hexoxyethylcyclopropane
CID 91079352
2,4-dibutoxypentane-1,3-diol
CID 57041496

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol?
The IUPAC name of (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol (CID 121465824) is (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol is CCCCO[C@@H](C)[C@H](O)C1CCCC1.
What is the InChIKey of (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol?
The InChIKey is KCWFXDNUCJDMGY-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-9-14-10(2)12(13)11-7-5-6-8-11/h10-13H,3-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol?
(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol is sourced from PubChem (CID 121465824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).