2,6-dimethoxy-4,4-dimethylheptane

C11H24O2 — CID 22951900

IUPAC2,6-dimethoxy-4,4-dimethylheptane
SMILESCOC(C)CC(C)(C)CC(C)OC
InChIInChI=1S/C11H24O2/c1-9(12-5)7-11(3,4)8-10(2)13-6/h9-10H,7-8H2,1-6H3
InChIKeyHOJYKLYLPJPZDS-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.86
Rot. Bonds6

About 2,6-dimethoxy-4,4-dimethylheptane

2,6-dimethoxy-4,4-dimethylheptane (PubChem CID 22951900) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,6-dimethoxy-4,4-dimethylheptane.

Molecular Properties

Compound Name2,6-dimethoxy-4,4-dimethylheptane
PubChem CID22951900
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2,6-dimethoxy-4,4-dimethylheptane
SMILESCOC(C)CC(C)(C)CC(C)OC
InChIInChI=1S/C11H24O2/c1-9(12-5)7-11(3,4)8-10(2)13-6/h9-10H,7-8H2,1-6H3
InChIKeyHOJYKLYLPJPZDS-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethoxy-4,4-dimethylheptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4,4-dimethylheptane?
The IUPAC name of 2,6-dimethoxy-4,4-dimethylheptane (CID 22951900) is 2,6-dimethoxy-4,4-dimethylheptane.
What is the SMILES notation for 2,6-dimethoxy-4,4-dimethylheptane?
The canonical SMILES for 2,6-dimethoxy-4,4-dimethylheptane is COC(C)CC(C)(C)CC(C)OC.
What is the InChIKey of 2,6-dimethoxy-4,4-dimethylheptane?
The InChIKey is HOJYKLYLPJPZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(12-5)7-11(3,4)8-10(2)13-6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,6-dimethoxy-4,4-dimethylheptane?
2,6-dimethoxy-4,4-dimethylheptane has a molecular weight of 188.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4,4-dimethylheptane is sourced from PubChem (CID 22951900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).