(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol

C9H18O2 — CID 11051928

IUPAC(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1C[C@H]1[C@@H](C)CO
InChIInChI=1S/C9H18O2/c1-3-9(11)8-4-7(8)6(2)5-10/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKeyAQXPMDCUKUHXEU-XSPKLOCKSA-N
MW158.24 g/mol
LogP1.02
Rot. Bonds4

About (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol

(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol (PubChem CID 11051928) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol
PubChem CID11051928
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1C[C@H]1[C@@H](C)CO
InChIInChI=1S/C9H18O2/c1-3-9(11)8-4-7(8)6(2)5-10/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKeyAQXPMDCUKUHXEU-XSPKLOCKSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
CID 10584418
1-[(1R,2R)-2-(2-methylpropyl)cyclopropyl]propan-1-ol
CID 131228133
(1R)-1-[2-(methylamino)cyclopropyl]propan-1-ol
CID 158498138
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-(2-prop-1-en-2-ylcyclopropyl)propan-1-ol
CID 73094340
2-[2-[(E)-prop-1-enyl]cyclopropyl]propan-1-ol
CID 130151949
1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
CID 130126580
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
CID 58100174
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol
CID 121291205

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol?
The IUPAC name of (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol (CID 11051928) is (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol?
The canonical SMILES for (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol is CC[C@@H](O)[C@H]1C[C@H]1[C@@H](C)CO.
What is the InChIKey of (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol?
The InChIKey is AQXPMDCUKUHXEU-XSPKLOCKSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-9(11)8-4-7(8)6(2)5-10/h6-11H,3-5H2,1-2H3/t6-,7-,8-,9+/m0/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol?
(1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-[(2R)-1-hydroxypropan-2-yl]cyclopropyl]propan-1-ol is sourced from PubChem (CID 11051928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).