3,4-dimethoxy-1,1-dimethylcyclopentane

C9H18O2 — CID 58806283

IUPAC3,4-dimethoxy-1,1-dimethylcyclopentane
SMILESCOC1CC(C)(C)CC1OC
InChIInChI=1S/C9H18O2/c1-9(2)5-7(10-3)8(6-9)11-4/h7-8H,5-6H2,1-4H3
InChIKeyQOANCRWOLXYFHS-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds2

About 3,4-dimethoxy-1,1-dimethylcyclopentane

3,4-dimethoxy-1,1-dimethylcyclopentane (PubChem CID 58806283) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3,4-dimethoxy-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name3,4-dimethoxy-1,1-dimethylcyclopentane
PubChem CID58806283
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3,4-dimethoxy-1,1-dimethylcyclopentane
SMILESCOC1CC(C)(C)CC1OC
InChIInChI=1S/C9H18O2/c1-9(2)5-7(10-3)8(6-9)11-4/h7-8H,5-6H2,1-4H3
InChIKeyQOANCRWOLXYFHS-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethoxy-1,1-dimethylcyclopentane 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 3,4-dimethoxy-1,1-dimethylcyclopentane?
The IUPAC name of 3,4-dimethoxy-1,1-dimethylcyclopentane (CID 58806283) is 3,4-dimethoxy-1,1-dimethylcyclopentane.
What is the SMILES notation for 3,4-dimethoxy-1,1-dimethylcyclopentane?
The canonical SMILES for 3,4-dimethoxy-1,1-dimethylcyclopentane is COC1CC(C)(C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-1,1-dimethylcyclopentane?
The InChIKey is QOANCRWOLXYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2)5-7(10-3)8(6-9)11-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethoxy-1,1-dimethylcyclopentane?
3,4-dimethoxy-1,1-dimethylcyclopentane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1,1-dimethylcyclopentane is sourced from PubChem (CID 58806283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).