(2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol

C9H18O2 — CID 130832788

IUPAC(2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol
SMILESC[C@H](CO)[C@H]1CCC[C@H]1CO
InChIInChI=1S/C9H18O2/c1-7(5-10)9-4-2-3-8(9)6-11/h7-11H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyNSRSIWXXNIFYIB-HRDYMLBCSA-N
MW158.24 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol

(2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol (PubChem CID 130832788) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol
PubChem CID130832788
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol
SMILESC[C@H](CO)[C@H]1CCC[C@H]1CO
InChIInChI=1S/C9H18O2/c1-7(5-10)9-4-2-3-8(9)6-11/h7-11H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyNSRSIWXXNIFYIB-HRDYMLBCSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol?
The IUPAC name of (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol (CID 130832788) is (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol?
The canonical SMILES for (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol is C[C@H](CO)[C@H]1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol?
The InChIKey is NSRSIWXXNIFYIB-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(5-10)9-4-2-3-8(9)6-11/h7-11H,2-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol?
(2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]propan-1-ol is sourced from PubChem (CID 130832788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).