2-methoxy-6-methylheptane

C9H20O — CID 22151529

IUPAC2-methoxy-6-methylheptane
SMILESCOC(C)CCCC(C)C
InChIInChI=1S/C9H20O/c1-8(2)6-5-7-9(3)10-4/h8-9H,5-7H2,1-4H3
InChIKeyZCQNJDIIZPNQIF-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds5

About 2-methoxy-6-methylheptane

2-methoxy-6-methylheptane (PubChem CID 22151529) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methoxy-6-methylheptane.

Molecular Properties

Compound Name2-methoxy-6-methylheptane
PubChem CID22151529
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methoxy-6-methylheptane
SMILESCOC(C)CCCC(C)C
InChIInChI=1S/C9H20O/c1-8(2)6-5-7-9(3)10-4/h8-9H,5-7H2,1-4H3
InChIKeyZCQNJDIIZPNQIF-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 2-methoxy-6-methylheptane 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-methoxy-6-methylheptane?
The IUPAC name of 2-methoxy-6-methylheptane (CID 22151529) is 2-methoxy-6-methylheptane.
What is the SMILES notation for 2-methoxy-6-methylheptane?
The canonical SMILES for 2-methoxy-6-methylheptane is COC(C)CCCC(C)C.
What is the InChIKey of 2-methoxy-6-methylheptane?
The InChIKey is ZCQNJDIIZPNQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(2)6-5-7-9(3)10-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-6-methylheptane?
2-methoxy-6-methylheptane 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 2-methoxy-6-methylheptane is sourced from PubChem (CID 22151529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).