[(1R,2S)-2-hydroxycyclopentyl]methyl acetate

C8H14O3 — CID 10986511

IUPAC[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
SMILESCC(=O)OC[C@H]1CCC[C@@H]1O
InChIInChI=1S/C8H14O3/c1-6(9)11-5-7-3-2-4-8(7)10/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyHULBTCMOWLOCCK-SFYZADRCSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds2

About [(1R,2S)-2-hydroxycyclopentyl]methyl acetate

[(1R,2S)-2-hydroxycyclopentyl]methyl acetate (PubChem CID 10986511) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxycyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
PubChem CID10986511
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
SMILESCC(=O)OC[C@H]1CCC[C@@H]1O
InChIInChI=1S/C8H14O3/c1-6(9)11-5-7-3-2-4-8(7)10/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyHULBTCMOWLOCCK-SFYZADRCSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713
trans-(1R,2S)-2-(acetyloxymethyl)cyclohexane-1-carboxylic acid
CID 139948026
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
2-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 93495946
[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate
CID 71299500
cyclopropylmethyl acetate
CID 538333
[(1S,5S,6R)-5,6-dihydroxycyclohex-3-en-1-yl]methyl acetate
CID 71416773
2-(cyclopentyloxymethyl)cyclopentan-1-ol
CID 130145318
[3-[2-(acetyloxymethyl)cyclohexyl]cyclopentyl]methyl acetate
CID 143870010
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxycyclopentyl]methyl acetate?
The IUPAC name of [(1R,2S)-2-hydroxycyclopentyl]methyl acetate (CID 10986511) is [(1R,2S)-2-hydroxycyclopentyl]methyl acetate.
What is the SMILES notation for [(1R,2S)-2-hydroxycyclopentyl]methyl acetate?
The canonical SMILES for [(1R,2S)-2-hydroxycyclopentyl]methyl acetate is CC(=O)OC[C@H]1CCC[C@@H]1O.
What is the InChIKey of [(1R,2S)-2-hydroxycyclopentyl]methyl acetate?
The InChIKey is HULBTCMOWLOCCK-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(9)11-5-7-3-2-4-8(7)10/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1R,2S)-2-hydroxycyclopentyl]methyl acetate?
[(1R,2S)-2-hydroxycyclopentyl]methyl acetate has a molecular weight of 158.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxycyclopentyl]methyl acetate is sourced from PubChem (CID 10986511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).