2,3-diethoxy-3,4-dimethylheptane

C13H28O2 — CID 58224448

IUPAC2,3-diethoxy-3,4-dimethylheptane
SMILESCCCC(C)C(C)(OCC)C(C)OCC
InChIInChI=1S/C13H28O2/c1-7-10-11(4)13(6,15-9-3)12(5)14-8-2/h11-12H,7-10H2,1-6H3
InChIKeyQIBNQECHRQGAPH-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds8

About 2,3-diethoxy-3,4-dimethylheptane

2,3-diethoxy-3,4-dimethylheptane (PubChem CID 58224448) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2,3-diethoxy-3,4-dimethylheptane.

Molecular Properties

Compound Name2,3-diethoxy-3,4-dimethylheptane
PubChem CID58224448
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2,3-diethoxy-3,4-dimethylheptane
SMILESCCCC(C)C(C)(OCC)C(C)OCC
InChIInChI=1S/C13H28O2/c1-7-10-11(4)13(6,15-9-3)12(5)14-8-2/h11-12H,7-10H2,1-6H3
InChIKeyQIBNQECHRQGAPH-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-diethoxy-3,4-dimethylheptane 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-Ethylhexyl glycidyl ether
CID 17162
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
2-Ethylenedioxy-5-methylheptane
CID 129811787
3-(2-Ethoxyethoxymethyl)heptane
CID 53789626
2-(2-((2-Ethylhexyl)oxy)propoxy)ethan-1-ol
CID 87670880
2,4-Dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 129163794
1-(2-Butylbutoxy)propan-2-ol
CID 98029
3-[(1-Methylethoxy)methyl]heptane
CID 3023970
(2-Methoxy-2-propan-2-ylpentyl) hypofluorite
CID 156694278
3-[2-(1,1,1-Trifluoropropan-2-yloxy)ethoxymethyl]heptane
CID 167445396
2-Butyl-2-ethyl-1,4-dioxane
CID 240150
1-(2-Methoxyethoxy)-4-methylcyclohexane
CID 23381124

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-3,4-dimethylheptane?
The IUPAC name of 2,3-diethoxy-3,4-dimethylheptane (CID 58224448) is 2,3-diethoxy-3,4-dimethylheptane.
What is the SMILES notation for 2,3-diethoxy-3,4-dimethylheptane?
The canonical SMILES for 2,3-diethoxy-3,4-dimethylheptane is CCCC(C)C(C)(OCC)C(C)OCC.
What is the InChIKey of 2,3-diethoxy-3,4-dimethylheptane?
The InChIKey is QIBNQECHRQGAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-7-10-11(4)13(6,15-9-3)12(5)14-8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,3-diethoxy-3,4-dimethylheptane?
2,3-diethoxy-3,4-dimethylheptane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-3,4-dimethylheptane is sourced from PubChem (CID 58224448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).