2,2,4,4,5,5-hexamethyloxolan-3-one

C10H18O2 — CID 130031129

IUPAC2,2,4,4,5,5-hexamethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(C)(C)C1=O
InChIInChI=1S/C10H18O2/c1-8(2)7(11)9(3,4)12-10(8,5)6/h1-6H3
InChIKeyOSQZPSMJOVEYPQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds

About 2,2,4,4,5,5-hexamethyloxolan-3-one

2,2,4,4,5,5-hexamethyloxolan-3-one (PubChem CID 130031129) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,2,4,4,5,5-hexamethyloxolan-3-one.

Molecular Properties

Compound Name2,2,4,4,5,5-hexamethyloxolan-3-one
PubChem CID130031129
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,2,4,4,5,5-hexamethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(C)(C)C1=O
InChIInChI=1S/C10H18O2/c1-8(2)7(11)9(3,4)12-10(8,5)6/h1-6H3
InChIKeyOSQZPSMJOVEYPQ-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,4,4,5,5-hexamethyloxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-tetramethyldioxolan-3-one
CID 2755692
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814
3,4,5,5,6,6-hexamethylpyran-2-one
CID 58307846
2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one
CID 143816400
[3-ethyl-5-methyl-2-(5,5,7,7-tetramethyl-4-oxo-1,6-dioxaspiro[2.4]heptan-2-yl)phenyl]-methylazanide
CID 163695489
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
1,5-dimethyl-6-oxabicyclo[3.1.0]hexan-3-one
CID 101489158
4-(2,2-dimethylpropanoyl)-2,2,5,5-tetramethyloxolan-3-one
CID 79917628
(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507304
2,3,4-trimethoxy-2,3,4,6,6,10,10-heptamethyl-1,7,9-trioxaspiro[4.5]decan-8-one
CID 20704268
2-[5-bromo-2-(trifluoromethoxy)phenyl]-5,5,7,7-tetramethyl-1,6-dioxaspiro[2.4]heptan-4-one
CID 58061246

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5-hexamethyloxolan-3-one?
The IUPAC name of 2,2,4,4,5,5-hexamethyloxolan-3-one (CID 130031129) is 2,2,4,4,5,5-hexamethyloxolan-3-one.
What is the SMILES notation for 2,2,4,4,5,5-hexamethyloxolan-3-one?
The canonical SMILES for 2,2,4,4,5,5-hexamethyloxolan-3-one is CC1(C)OC(C)(C)C(C)(C)C1=O.
What is the InChIKey of 2,2,4,4,5,5-hexamethyloxolan-3-one?
The InChIKey is OSQZPSMJOVEYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)7(11)9(3,4)12-10(8,5)6/h1-6H3.
What are the key properties of 2,2,4,4,5,5-hexamethyloxolan-3-one?
2,2,4,4,5,5-hexamethyloxolan-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5-hexamethyloxolan-3-one is sourced from PubChem (CID 130031129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).