1,2-dimethoxy-4-methylhexane

C9H20O2 — CID 123627097

IUPAC1,2-dimethoxy-4-methylhexane
SMILESCCC(C)CC(COC)OC
InChIInChI=1S/C9H20O2/c1-5-8(2)6-9(11-4)7-10-3/h8-9H,5-7H2,1-4H3
InChIKeyZBXWMFVXJHBWQU-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds6

About 1,2-dimethoxy-4-methylhexane

1,2-dimethoxy-4-methylhexane (PubChem CID 123627097) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2-dimethoxy-4-methylhexane.

Molecular Properties

Compound Name1,2-dimethoxy-4-methylhexane
PubChem CID123627097
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,2-dimethoxy-4-methylhexane
SMILESCCC(C)CC(COC)OC
InChIInChI=1S/C9H20O2/c1-5-8(2)6-9(11-4)7-10-3/h8-9H,5-7H2,1-4H3
InChIKeyZBXWMFVXJHBWQU-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethoxy-4-methylhexane 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

methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
4-(bromomethyl)-1,2-dimethoxyhexane
CID 165442725
1,2-dimethoxybutane;1,2-dimethoxypropane
CID 91039470
methane;1-methoxy-2-methylbutane
CID 159281556
(E)-5-methoxy-2,7-dimethylnon-2-en-1-ol
CID 87272716
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
1,2,5,6-tetramethoxyhexane
CID 18679814
1,2-dimethoxypentane
CID 22961171
3-methoxy-7-methylnonan-1-ol
CID 87272978
1-methoxy-2,4,5-trimethylheptane
CID 177138936
methane;3-methoxyheptane;1-methoxy-2-methylhexane
CID 162176457

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-methylhexane?
The IUPAC name of 1,2-dimethoxy-4-methylhexane (CID 123627097) is 1,2-dimethoxy-4-methylhexane.
What is the SMILES notation for 1,2-dimethoxy-4-methylhexane?
The canonical SMILES for 1,2-dimethoxy-4-methylhexane is CCC(C)CC(COC)OC.
What is the InChIKey of 1,2-dimethoxy-4-methylhexane?
The InChIKey is ZBXWMFVXJHBWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-8(2)6-9(11-4)7-10-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,2-dimethoxy-4-methylhexane?
1,2-dimethoxy-4-methylhexane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-methylhexane is sourced from PubChem (CID 123627097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).