3-ethyl-1-methoxy-3-methylpentane

C9H20O — CID 20598395

IUPAC3-ethyl-1-methoxy-3-methylpentane
SMILESCCC(C)(CC)CCOC
InChIInChI=1S/C9H20O/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3
InChIKeyMPOMLTYGDYKCLH-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds5

About 3-ethyl-1-methoxy-3-methylpentane

3-ethyl-1-methoxy-3-methylpentane (PubChem CID 20598395) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-3-methylpentane.

Molecular Properties

Compound Name3-ethyl-1-methoxy-3-methylpentane
PubChem CID20598395
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-ethyl-1-methoxy-3-methylpentane
SMILESCCC(C)(CC)CCOC
InChIInChI=1S/C9H20O/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3
InChIKeyMPOMLTYGDYKCLH-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-1-methoxy-3-methylpentane 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-ethyl-1-methoxy-3-methylpentane?
The IUPAC name of 3-ethyl-1-methoxy-3-methylpentane (CID 20598395) is 3-ethyl-1-methoxy-3-methylpentane.
What is the SMILES notation for 3-ethyl-1-methoxy-3-methylpentane?
The canonical SMILES for 3-ethyl-1-methoxy-3-methylpentane is CCC(C)(CC)CCOC.
What is the InChIKey of 3-ethyl-1-methoxy-3-methylpentane?
The InChIKey is MPOMLTYGDYKCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-methoxy-3-methylpentane?
3-ethyl-1-methoxy-3-methylpentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-3-methylpentane is sourced from PubChem (CID 20598395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).