4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one

C8H14O3 — CID 130691249

IUPAC4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(CCO)C1=O
InChIInChI=1S/C8H14O3/c1-8(2)7(10)6(3-4-9)5-11-8/h6,9H,3-5H2,1-2H3
InChIKeyFARAICOXDYPBNM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.36
Rot. Bonds2

About 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one

4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one (PubChem CID 130691249) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
PubChem CID130691249
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(CCO)C1=O
InChIInChI=1S/C8H14O3/c1-8(2)7(10)6(3-4-9)5-11-8/h6,9H,3-5H2,1-2H3
InChIKeyFARAICOXDYPBNM-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
CID 131123212
4-(2,2-difluoroethyl)-2,2-dimethyloxolan-3-one
CID 130706345
4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
CID 130825895
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
4-(1-aminopropyl)-2,2-dimethyloxolan-3-one
CID 131115168
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
CID 130927246
methyl (3R)-5,5-dimethyl-4-oxooxolane-3-carboxylate
CID 124563040
2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
CID 130927858
2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol
CID 130124154
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 10975778
4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 115064054

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one (CID 130691249) is 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one is CC1(C)OCC(CCO)C1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one?
The InChIKey is FARAICOXDYPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)7(10)6(3-4-9)5-11-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one?
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one has a molecular weight of 158.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 130691249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).