1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane

C13H28O2 — CID 138526057

IUPAC1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane
SMILESCCC(C)CCOCC(C)(CC)COC
InChIInChI=1S/C13H28O2/c1-6-12(3)8-9-15-11-13(4,7-2)10-14-5/h12H,6-11H2,1-5H3
InChIKeyGANUZQIRMUYACR-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.50
Rot. Bonds9

About 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane

1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane (PubChem CID 138526057) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane
PubChem CID138526057
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane
SMILESCCC(C)CCOCC(C)(CC)COC
InChIInChI=1S/C13H28O2/c1-6-12(3)8-9-15-11-13(4,7-2)10-14-5/h12H,6-11H2,1-5H3
InChIKeyGANUZQIRMUYACR-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane 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-methyl-2-(3-methylpentoxymethyl)butane?
The IUPAC name of 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane (CID 138526057) is 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane.
What is the SMILES notation for 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane?
The canonical SMILES for 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane is CCC(C)CCOCC(C)(CC)COC.
What is the InChIKey of 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane?
The InChIKey is GANUZQIRMUYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-12(3)8-9-15-11-13(4,7-2)10-14-5/h12H,6-11H2,1-5H3.
What are the key properties of 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane?
1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane has a molecular weight of 216.36 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-2-(3-methylpentoxymethyl)butane is sourced from PubChem (CID 138526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).