4-(1-hydroxy-2-methylpropyl)oxolan-2-one

C8H14O3 — CID 74342868

IUPAC4-(1-hydroxy-2-methylpropyl)oxolan-2-one
SMILESCC(C)C(O)C1COC(=O)C1
InChIInChI=1S/C8H14O3/c1-5(2)8(10)6-3-7(9)11-4-6/h5-6,8,10H,3-4H2,1-2H3
InChIKeyPVDXPHUWEAQKLY-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropyl)oxolan-2-one

4-(1-hydroxy-2-methylpropyl)oxolan-2-one (PubChem CID 74342868) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropyl)oxolan-2-one
PubChem CID74342868
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(1-hydroxy-2-methylpropyl)oxolan-2-one
SMILESCC(C)C(O)C1COC(=O)C1
InChIInChI=1S/C8H14O3/c1-5(2)8(10)6-3-7(9)11-4-6/h5-6,8,10H,3-4H2,1-2H3
InChIKeyPVDXPHUWEAQKLY-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)oxolan-2-one
CID 12664706
4-propan-2-yloxolan-2-one
CID 10997052
4-(1-aminoethyl)oxolan-2-one
CID 173037685
(4S)-4-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
CID 58158380
[(1S)-1-[(3R)-5-oxooxolan-3-yl]ethyl] acetate
CID 131860875
tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate
CID 146163945
4-(1-nitropropyl)oxolan-2-one
CID 171905892
(4R,6S)-4-methyl-6-propan-2-yloxepan-2-one
CID 45096478
(2R,3S)-3,7-dimethyl-2-[(3S)-5-oxooxolan-3-yl]oct-6-enal
CID 10977499
(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one
CID 24879582
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
CID 155596266
4-(1-bromo-3,3,3-trichloropropyl)oxolan-2-one
CID 71411309

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropyl)oxolan-2-one?
The IUPAC name of 4-(1-hydroxy-2-methylpropyl)oxolan-2-one (CID 74342868) is 4-(1-hydroxy-2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropyl)oxolan-2-one?
The canonical SMILES for 4-(1-hydroxy-2-methylpropyl)oxolan-2-one is CC(C)C(O)C1COC(=O)C1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropyl)oxolan-2-one?
The InChIKey is PVDXPHUWEAQKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(2)8(10)6-3-7(9)11-4-6/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 4-(1-hydroxy-2-methylpropyl)oxolan-2-one?
4-(1-hydroxy-2-methylpropyl)oxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 74342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).