4-hydroxy-5,5-dimethyloxolan-2-one

C6H10O3 — CID 11768601

IUPAC4-hydroxy-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)CC1O
InChIInChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3
InChIKeySIEVQTNTRMBCHO-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.07
Rot. Bonds

About 4-hydroxy-5,5-dimethyloxolan-2-one

4-hydroxy-5,5-dimethyloxolan-2-one (PubChem CID 11768601) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyloxolan-2-one
PubChem CID11768601
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name4-hydroxy-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)CC1O
InChIInChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3
InChIKeySIEVQTNTRMBCHO-UHFFFAOYSA-N
XLogP0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyloxolan-2-one?
The IUPAC name of 4-hydroxy-5,5-dimethyloxolan-2-one (CID 11768601) is 4-hydroxy-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethyloxolan-2-one?
The canonical SMILES for 4-hydroxy-5,5-dimethyloxolan-2-one is CC1(C)OC(=O)CC1O.
What is the InChIKey of 4-hydroxy-5,5-dimethyloxolan-2-one?
The InChIKey is SIEVQTNTRMBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3.
What are the key properties of 4-hydroxy-5,5-dimethyloxolan-2-one?
4-hydroxy-5,5-dimethyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 11768601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).