1-methoxy-3,5,5-trimethylhexane

C10H22O — CID 20704846

IUPAC1-methoxy-3,5,5-trimethylhexane
SMILESCOCCC(C)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(6-7-11-5)8-10(2,3)4/h9H,6-8H2,1-5H3
InChIKeyFHTJWUSLAYTVKH-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds4

About 1-methoxy-3,5,5-trimethylhexane

1-methoxy-3,5,5-trimethylhexane (PubChem CID 20704846) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 1-methoxy-3,5,5-trimethylhexane.

Molecular Properties

Compound Name1-methoxy-3,5,5-trimethylhexane
PubChem CID20704846
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name1-methoxy-3,5,5-trimethylhexane
SMILESCOCCC(C)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(6-7-11-5)8-10(2,3)4/h9H,6-8H2,1-5H3
InChIKeyFHTJWUSLAYTVKH-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-3,5,5-trimethylhexane 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 1-methoxy-3,5,5-trimethylhexane?
The IUPAC name of 1-methoxy-3,5,5-trimethylhexane (CID 20704846) is 1-methoxy-3,5,5-trimethylhexane.
What is the SMILES notation for 1-methoxy-3,5,5-trimethylhexane?
The canonical SMILES for 1-methoxy-3,5,5-trimethylhexane is COCCC(C)CC(C)(C)C.
What is the InChIKey of 1-methoxy-3,5,5-trimethylhexane?
The InChIKey is FHTJWUSLAYTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-9(6-7-11-5)8-10(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of 1-methoxy-3,5,5-trimethylhexane?
1-methoxy-3,5,5-trimethylhexane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,5,5-trimethylhexane is sourced from PubChem (CID 20704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).