1-methoxy-2,4,4-trimethylpentane

C9H20O — CID 11446403

IUPAC1-methoxy-2,4,4-trimethylpentane
SMILESCOCC(C)CC(C)(C)C
InChIInChI=1S/C9H20O/c1-8(7-10-5)6-9(2,3)4/h8H,6-7H2,1-5H3
InChIKeyMRIBYNUKSAICCT-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.71
Rot. Bonds3

About 1-methoxy-2,4,4-trimethylpentane

1-methoxy-2,4,4-trimethylpentane (PubChem CID 11446403) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-methoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name1-methoxy-2,4,4-trimethylpentane
PubChem CID11446403
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name1-methoxy-2,4,4-trimethylpentane
SMILESCOCC(C)CC(C)(C)C
InChIInChI=1S/C9H20O/c1-8(7-10-5)6-9(2,3)4/h8H,6-7H2,1-5H3
InChIKeyMRIBYNUKSAICCT-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-2,4,4-trimethylpentane 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-2,4,4-trimethylpentane?
The IUPAC name of 1-methoxy-2,4,4-trimethylpentane (CID 11446403) is 1-methoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 1-methoxy-2,4,4-trimethylpentane?
The canonical SMILES for 1-methoxy-2,4,4-trimethylpentane is COCC(C)CC(C)(C)C.
What is the InChIKey of 1-methoxy-2,4,4-trimethylpentane?
The InChIKey is MRIBYNUKSAICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(7-10-5)6-9(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-2,4,4-trimethylpentane?
1-methoxy-2,4,4-trimethylpentane has a molecular weight of 144.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 11446403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).