[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate

C8H14O4 — CID 121404223

IUPAC[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate
SMILESCC(=O)OC(CO)C1CCCO1
InChIInChI=1S/C8H14O4/c1-6(10)12-8(5-9)7-3-2-4-11-7/h7-9H,2-5H2,1H3
InChIKeyVPFHCIPOCHYZAQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.09
Rot. Bonds3

About [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate

[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate (PubChem CID 121404223) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate
PubChem CID121404223
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate
SMILESCC(=O)OC(CO)C1CCCO1
InChIInChI=1S/C8H14O4/c1-6(10)12-8(5-9)7-3-2-4-11-7/h7-9H,2-5H2,1H3
InChIKeyVPFHCIPOCHYZAQ-UHFFFAOYSA-N
XLogP0.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
ethyl (2R)-2-acetyloxy-2-[(2R)-oxolan-2-yl]acetate
CID 11241385
[(1S)-1-[(2S)-oxan-2-yl]prop-2-ynyl] acetate
CID 10797506
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
ethyl 3-oxo-2-(oxolan-2-yl)butanoate
CID 14416095
2-amino-2-(oxolan-2-yl)ethanol;hydrochloride
CID 69084455
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
5-methyl-4-(oxan-2-yl)hexan-2-one
CID 176760505
3-(oxolan-2-yl)butanoic acid
CID 3727496
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate?
The IUPAC name of [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate (CID 121404223) is [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate.
What is the SMILES notation for [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate?
The canonical SMILES for [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate is CC(=O)OC(CO)C1CCCO1.
What is the InChIKey of [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate?
The InChIKey is VPFHCIPOCHYZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(10)12-8(5-9)7-3-2-4-11-7/h7-9H,2-5H2,1H3.
What are the key properties of [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate?
[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate has a molecular weight of 174.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-(oxolan-2-yl)ethyl] acetate is sourced from PubChem (CID 121404223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).