cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol

C6H12O2 — CID 793149

IUPACcis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C6H12O2/c7-4-5-2-1-3-6(5)8/h5-8H,1-4H2/t5-,6+/m0/s1
InChIKeyUADBLZFWTJHOJC-NTSWFWBYSA-N
MW116.16 g/mol
LogP0.14
Rot. Bonds1

About cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol

cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 793149) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID793149
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namecis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C6H12O2/c7-4-5-2-1-3-6(5)8/h5-8H,1-4H2/t5-,6+/m0/s1
InChIKeyUADBLZFWTJHOJC-NTSWFWBYSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol (CID 793149) is cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol is OC[C@@H]1CCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is UADBLZFWTJHOJC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12O2/c7-4-5-2-1-3-6(5)8/h5-8H,1-4H2/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol?
cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).