1,7-dimethoxy-3,7-dimethyloctane

C12H26O2 — CID 102324053

IUPAC1,7-dimethoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCCC(C)(C)OC
InChIInChI=1S/C12H26O2/c1-11(8-10-13-4)7-6-9-12(2,3)14-5/h11H,6-10H2,1-5H3
InChIKeyHRXZTNBIMBYZQV-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.25
Rot. Bonds8

About 1,7-dimethoxy-3,7-dimethyloctane

1,7-dimethoxy-3,7-dimethyloctane (PubChem CID 102324053) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,7-dimethoxy-3,7-dimethyloctane.

Molecular Properties

Compound Name1,7-dimethoxy-3,7-dimethyloctane
PubChem CID102324053
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1,7-dimethoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCCC(C)(C)OC
InChIInChI=1S/C12H26O2/c1-11(8-10-13-4)7-6-9-12(2,3)14-5/h11H,6-10H2,1-5H3
InChIKeyHRXZTNBIMBYZQV-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,7-dimethoxy-3,7-dimethyloctane 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 1,7-dimethoxy-3,7-dimethyloctane?
The IUPAC name of 1,7-dimethoxy-3,7-dimethyloctane (CID 102324053) is 1,7-dimethoxy-3,7-dimethyloctane.
What is the SMILES notation for 1,7-dimethoxy-3,7-dimethyloctane?
The canonical SMILES for 1,7-dimethoxy-3,7-dimethyloctane is COCCC(C)CCCC(C)(C)OC.
What is the InChIKey of 1,7-dimethoxy-3,7-dimethyloctane?
The InChIKey is HRXZTNBIMBYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-11(8-10-13-4)7-6-9-12(2,3)14-5/h11H,6-10H2,1-5H3.
What are the key properties of 1,7-dimethoxy-3,7-dimethyloctane?
1,7-dimethoxy-3,7-dimethyloctane has a molecular weight of 202.34 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-3,7-dimethyloctane is sourced from PubChem (CID 102324053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).