4-methoxy-2,4-dimethylhexane

C9H20O — CID 88745274

IUPAC4-methoxy-2,4-dimethylhexane
SMILESCCC(C)(CC(C)C)OC
InChIInChI=1S/C9H20O/c1-6-9(4,10-5)7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyRWROUYSSWCNKGO-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds4

About 4-methoxy-2,4-dimethylhexane

4-methoxy-2,4-dimethylhexane (PubChem CID 88745274) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethylhexane.

Molecular Properties

Compound Name4-methoxy-2,4-dimethylhexane
PubChem CID88745274
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name4-methoxy-2,4-dimethylhexane
SMILESCCC(C)(CC(C)C)OC
InChIInChI=1S/C9H20O/c1-6-9(4,10-5)7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyRWROUYSSWCNKGO-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethylhexane?
The IUPAC name of 4-methoxy-2,4-dimethylhexane (CID 88745274) is 4-methoxy-2,4-dimethylhexane.
What is the SMILES notation for 4-methoxy-2,4-dimethylhexane?
The canonical SMILES for 4-methoxy-2,4-dimethylhexane is CCC(C)(CC(C)C)OC.
What is the InChIKey of 4-methoxy-2,4-dimethylhexane?
The InChIKey is RWROUYSSWCNKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-9(4,10-5)7-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-2,4-dimethylhexane?
4-methoxy-2,4-dimethylhexane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethylhexane is sourced from PubChem (CID 88745274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).