[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate

C8H14O3 — CID 134129812

IUPAC[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC[C@H]1CO
InChIInChI=1S/C8H14O3/c1-6(10)11-5-8-3-2-7(8)4-9/h7-9H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyULMCYJQQTKKLOY-YUMQZZPRSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds3

About [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate

[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate (PubChem CID 134129812) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
PubChem CID134129812
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC[C@H]1CO
InChIInChI=1S/C8H14O3/c1-6(10)11-5-8-3-2-7(8)4-9/h7-9H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyULMCYJQQTKKLOY-YUMQZZPRSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(hydroxymethyl)-4-oxocyclopentyl]methyl acetate
CID 11412792
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
cyclopropylmethyl acetate
CID 538333
azetidin-3-ylmethyl acetate
CID 66592470
[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
CID 10986511
[2-(acetyloxymethyl)-3-oxocyclobutyl]methyl acetate
CID 22467064
fluorobenzene;[2-(hydroxymethyl)cyclopropyl]methyl acetate
CID 145013221
trans-(1R,2S)-2-(acetyloxymethyl)cyclohexane-1-carboxylic acid
CID 139948026
[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate
CID 167090767
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
[(3aR,4R,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 23239991

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate?
The IUPAC name of [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate (CID 134129812) is [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate.
What is the SMILES notation for [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate?
The canonical SMILES for [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate is CC(=O)OC[C@@H]1CC[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate?
The InChIKey is ULMCYJQQTKKLOY-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(10)11-5-8-3-2-7(8)4-9/h7-9H,2-5H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate?
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate has a molecular weight of 158.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate is sourced from PubChem (CID 134129812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).