1,3-dimethoxy-2,2-dimethylpropane

C7H16O2 — CID 542279

IUPAC1,3-dimethoxy-2,2-dimethylpropane
SMILESCOCC(C)(C)COC
InChIInChI=1S/C7H16O2/c1-7(2,5-8-3)6-9-4/h5-6H2,1-4H3
InChIKeyGZNWHBOGFCHVSF-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.31
Rot. Bonds4

About 1,3-dimethoxy-2,2-dimethylpropane

1,3-dimethoxy-2,2-dimethylpropane (PubChem CID 542279) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1,3-dimethoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1,3-dimethoxy-2,2-dimethylpropane
PubChem CID542279
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1,3-dimethoxy-2,2-dimethylpropane
SMILESCOCC(C)(C)COC
InChIInChI=1S/C7H16O2/c1-7(2,5-8-3)6-9-4/h5-6H2,1-4H3
InChIKeyGZNWHBOGFCHVSF-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethoxy-2,2-dimethylpropane 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

1,3-Dimethoxypropane
CID 140180
1,3-Diethoxypropane
CID 137943
1,3-Diethoxy-2,2-bis(ethoxymethyl)propane
CID 313905
1-Methoxy-2,2-dimethylpropane
CID 136871
1,3-Dimethoxy-2,2-bis(methoxymethyl)propane
CID 13829253
t-Amyl ethyl ether
CID 12699282
1-Methoxy-3-propoxypropane
CID 19812566
2,2-Bis(methoxymethyl)-1,3-dipropoxy-propane
CID 53428775
1,3-Diethoxy-2,2-dimethylpropane
CID 12698290
1,3-Dimethoxy-2-(methoxymethyl)-2-methylpropane
CID 554369
3,3-Bis(methoxymethyl)oxetane
CID 12721364
1,3-Dimethoxy-2-methylpropane
CID 21024274

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2,2-dimethylpropane?
The IUPAC name of 1,3-dimethoxy-2,2-dimethylpropane (CID 542279) is 1,3-dimethoxy-2,2-dimethylpropane.
What is the SMILES notation for 1,3-dimethoxy-2,2-dimethylpropane?
The canonical SMILES for 1,3-dimethoxy-2,2-dimethylpropane is COCC(C)(C)COC.
What is the InChIKey of 1,3-dimethoxy-2,2-dimethylpropane?
The InChIKey is GZNWHBOGFCHVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-7(2,5-8-3)6-9-4/h5-6H2,1-4H3.
What are the key properties of 1,3-dimethoxy-2,2-dimethylpropane?
1,3-dimethoxy-2,2-dimethylpropane has a molecular weight of 132.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2,2-dimethylpropane is sourced from PubChem (CID 542279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).