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

C8H14O3 — CID 69173518

IUPAC5-hydroxy-4-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1CC(=O)OC1O
InChIInChI=1S/C8H14O3/c1-5(2)3-6-4-7(9)11-8(6)10/h5-6,8,10H,3-4H2,1-2H3
InChIKeyQNHBGZSPSCOCLM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.91
Rot. Bonds2

About 5-hydroxy-4-(2-methylpropyl)oxolan-2-one

5-hydroxy-4-(2-methylpropyl)oxolan-2-one (PubChem CID 69173518) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-hydroxy-4-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(2-methylpropyl)oxolan-2-one
PubChem CID69173518
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-hydroxy-4-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1CC(=O)OC1O
InChIInChI=1S/C8H14O3/c1-5(2)3-6-4-7(9)11-8(6)10/h5-6,8,10H,3-4H2,1-2H3
InChIKeyQNHBGZSPSCOCLM-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(2-methylpropyl)oxolan-2-one?
The IUPAC name of 5-hydroxy-4-(2-methylpropyl)oxolan-2-one (CID 69173518) is 5-hydroxy-4-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for 5-hydroxy-4-(2-methylpropyl)oxolan-2-one is CC(C)CC1CC(=O)OC1O.
What is the InChIKey of 5-hydroxy-4-(2-methylpropyl)oxolan-2-one?
The InChIKey is QNHBGZSPSCOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(2)3-6-4-7(9)11-8(6)10/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-4-(2-methylpropyl)oxolan-2-one?
5-hydroxy-4-(2-methylpropyl)oxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 69173518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).