4-(2,2-dimethylbutoxy)oxolan-2-one

C10H18O3 — CID 123413829

IUPAC4-(2,2-dimethylbutoxy)oxolan-2-one
SMILESCCC(C)(C)COC1COC(=O)C1
InChIInChI=1S/C10H18O3/c1-4-10(2,3)7-13-8-5-9(11)12-6-8/h8H,4-7H2,1-3H3
InChIKeyLOIDCUNTRZFDHH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About 4-(2,2-dimethylbutoxy)oxolan-2-one

4-(2,2-dimethylbutoxy)oxolan-2-one (PubChem CID 123413829) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2,2-dimethylbutoxy)oxolan-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylbutoxy)oxolan-2-one
PubChem CID123413829
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(2,2-dimethylbutoxy)oxolan-2-one
SMILESCCC(C)(C)COC1COC(=O)C1
InChIInChI=1S/C10H18O3/c1-4-10(2,3)7-13-8-5-9(11)12-6-8/h8H,4-7H2,1-3H3
InChIKeyLOIDCUNTRZFDHH-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-dimethylbutoxy)oxolan-2-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

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] butanoate
CID 13848056
(4R)-4-methoxyoxolan-2-one
CID 10820503
(4S)-4-methoxyoxolan-2-one
CID 11332443
3-Methoxyl butyrolactone
CID 13611239
(4R)-4-ethoxyoxolan-2-one
CID 13761808
[5-Oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 58676270
4-Ethoxyoxolan-2-one
CID 13761809
(5-Oxooxolan-3-yl) 2-methylbutanoate
CID 22082264
4-Methyl-5-oxo-tetrahydrofuran-3-yl acetate
CID 15743484
[5-Oxo-4-(trifluoromethyl)oxolan-3-yl] 2,2,3,3-tetramethylbutanoate
CID 162546003
(5-Oxooxolan-3-yl) 3-methylbutanoate
CID 101630163
4-Propan-2-yloxyoxolan-2-one
CID 12027758

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutoxy)oxolan-2-one?
The IUPAC name of 4-(2,2-dimethylbutoxy)oxolan-2-one (CID 123413829) is 4-(2,2-dimethylbutoxy)oxolan-2-one.
What is the SMILES notation for 4-(2,2-dimethylbutoxy)oxolan-2-one?
The canonical SMILES for 4-(2,2-dimethylbutoxy)oxolan-2-one is CCC(C)(C)COC1COC(=O)C1.
What is the InChIKey of 4-(2,2-dimethylbutoxy)oxolan-2-one?
The InChIKey is LOIDCUNTRZFDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(2,3)7-13-8-5-9(11)12-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2,2-dimethylbutoxy)oxolan-2-one?
4-(2,2-dimethylbutoxy)oxolan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutoxy)oxolan-2-one is sourced from PubChem (CID 123413829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).