2,2-diethoxy-1-methoxypropane

C8H18O3 — CID 168868590

IUPAC2,2-diethoxy-1-methoxypropane
SMILESCCOC(C)(COC)OCC
InChIInChI=1S/C8H18O3/c1-5-10-8(3,7-9-4)11-6-2/h5-7H2,1-4H3
InChIKeyMMFWUUOMUCSPAB-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.42
Rot. Bonds6

About 2,2-diethoxy-1-methoxypropane

2,2-diethoxy-1-methoxypropane (PubChem CID 168868590) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,2-diethoxy-1-methoxypropane.

Molecular Properties

Compound Name2,2-diethoxy-1-methoxypropane
PubChem CID168868590
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2,2-diethoxy-1-methoxypropane
SMILESCCOC(C)(COC)OCC
InChIInChI=1S/C8H18O3/c1-5-10-8(3,7-9-4)11-6-2/h5-7H2,1-4H3
InChIKeyMMFWUUOMUCSPAB-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-diethoxy-1-methoxypropane 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

(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate
CID 154385103
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
2,2,5,5-tetraethoxyhexane
CID 42611383
3,3-diethoxy-1,1-dimethoxybutane
CID 57235388
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
1-methoxy-2,2-dimethylpropane
CID 160639316
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
methyl 3,3-diethoxybutanoate
CID 176648277
4-ethoxy-4-methoxypent-1-ene
CID 150119013
2-ethenoxy-1,2-diethoxypropane
CID 173023093
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-methoxypropane?
The IUPAC name of 2,2-diethoxy-1-methoxypropane (CID 168868590) is 2,2-diethoxy-1-methoxypropane.
What is the SMILES notation for 2,2-diethoxy-1-methoxypropane?
The canonical SMILES for 2,2-diethoxy-1-methoxypropane is CCOC(C)(COC)OCC.
What is the InChIKey of 2,2-diethoxy-1-methoxypropane?
The InChIKey is MMFWUUOMUCSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-5-10-8(3,7-9-4)11-6-2/h5-7H2,1-4H3.
What are the key properties of 2,2-diethoxy-1-methoxypropane?
2,2-diethoxy-1-methoxypropane has a molecular weight of 162.23 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-methoxypropane is sourced from PubChem (CID 168868590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).