[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate

C10H16O3 — CID 167090767

IUPAC[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate
SMILESC=CC(O)C1CC[C@H]1COC(C)=O
InChIInChI=1S/C10H16O3/c1-3-10(12)9-5-4-8(9)6-13-7(2)11/h3,8-10,12H,1,4-6H2,2H3/t8-,9?,10?/m0/s1
InChIKeyQUVWYOMVPMYPJD-IDKOKCKLSA-N
MW184.23 g/mol
LogP1.12
Rot. Bonds4

About [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate

[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate (PubChem CID 167090767) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate.

Molecular Properties

Compound Name[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate
PubChem CID167090767
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate
SMILESC=CC(O)C1CC[C@H]1COC(C)=O
InChIInChI=1S/C10H16O3/c1-3-10(12)9-5-4-8(9)6-13-7(2)11/h3,8-10,12H,1,4-6H2,2H3/t8-,9?,10?/m0/s1
InChIKeyQUVWYOMVPMYPJD-IDKOKCKLSA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
cyclopropylmethyl acetate
CID 538333
azetidin-3-ylmethyl acetate
CID 66592470
[(1R,2R,3S,4S)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
CID 153447573
[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
CID 10986511
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713
[(2R,3S,5R)-5-acetyloxy-2,3,4-trimethylcyclohexyl]methyl acetate
CID 129224577
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
trans-(1R,2S)-2-(acetyloxymethyl)cyclohexane-1-carboxylic acid
CID 139948026
(2R)-2-[(1S,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]propanoic acid
CID 46187915
[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
CID 102184617

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate?
The IUPAC name of [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate (CID 167090767) is [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate.
What is the SMILES notation for [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate?
The canonical SMILES for [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate is C=CC(O)C1CC[C@H]1COC(C)=O.
What is the InChIKey of [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate?
The InChIKey is QUVWYOMVPMYPJD-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-10(12)9-5-4-8(9)6-13-7(2)11/h3,8-10,12H,1,4-6H2,2H3/t8-,9?,10?/m0/s1.
What are the key properties of [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate?
[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate has a molecular weight of 184.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate is sourced from PubChem (CID 167090767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).