1-methoxy-2,5-dimethylhexane

C9H20O — CID 18720491

IUPAC1-methoxy-2,5-dimethylhexane
SMILESCOCC(C)CCC(C)C
InChIInChI=1S/C9H20O/c1-8(2)5-6-9(3)7-10-4/h8-9H,5-7H2,1-4H3
InChIKeyIRQBPQUUNBRFDI-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.71
Rot. Bonds5

About 1-methoxy-2,5-dimethylhexane

1-methoxy-2,5-dimethylhexane (PubChem CID 18720491) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-methoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name1-methoxy-2,5-dimethylhexane
PubChem CID18720491
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name1-methoxy-2,5-dimethylhexane
SMILESCOCC(C)CCC(C)C
InChIInChI=1S/C9H20O/c1-8(2)5-6-9(3)7-10-4/h8-9H,5-7H2,1-4H3
InChIKeyIRQBPQUUNBRFDI-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-2,5-dimethylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
3-(Butoxymethyl)heptane
CID 522064
2-Ethyl-1-hexanol, methyl ether
CID 14795002
Hexyl 2-methylpropyl ether
CID 19911674
1-Isobutoxy-2-ethylhexane
CID 545495
6-Methyl-2-heptanol, methyl ether
CID 22151529
1-Ethoxy-3-ethyl-5-methylhexane
CID 231562
1-Methoxy-2-methylhexane
CID 14868104
3-Isobutyltetrahydrofuran
CID 22975333
1-(3-Methylbutoxy)hexane
CID 23119235
Methyl 2-propylhexyl ether
CID 59274500

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,5-dimethylhexane?
The IUPAC name of 1-methoxy-2,5-dimethylhexane (CID 18720491) is 1-methoxy-2,5-dimethylhexane.
What is the SMILES notation for 1-methoxy-2,5-dimethylhexane?
The canonical SMILES for 1-methoxy-2,5-dimethylhexane is COCC(C)CCC(C)C.
What is the InChIKey of 1-methoxy-2,5-dimethylhexane?
The InChIKey is IRQBPQUUNBRFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(2)5-6-9(3)7-10-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-2,5-dimethylhexane?
1-methoxy-2,5-dimethylhexane has a molecular weight of 144.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,5-dimethylhexane is sourced from PubChem (CID 18720491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).