5-methoxy-2-methyl-1-propoxypentane

C10H22O2 — CID 57215841

IUPAC5-methoxy-2-methyl-1-propoxypentane
SMILESCCCOCC(C)CCCOC
InChIInChI=1S/C10H22O2/c1-4-7-12-9-10(2)6-5-8-11-3/h10H,4-9H2,1-3H3
InChIKeyKZJDTKSPQMNVFY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.48
Rot. Bonds8

About 5-methoxy-2-methyl-1-propoxypentane

5-methoxy-2-methyl-1-propoxypentane (PubChem CID 57215841) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-propoxypentane.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-propoxypentane
PubChem CID57215841
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name5-methoxy-2-methyl-1-propoxypentane
SMILESCCCOCC(C)CCCOC
InChIInChI=1S/C10H22O2/c1-4-7-12-9-10(2)6-5-8-11-3/h10H,4-9H2,1-3H3
InChIKeyKZJDTKSPQMNVFY-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-methyl-1-propoxypentane 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 5-methoxy-2-methyl-1-propoxypentane?
The IUPAC name of 5-methoxy-2-methyl-1-propoxypentane (CID 57215841) is 5-methoxy-2-methyl-1-propoxypentane.
What is the SMILES notation for 5-methoxy-2-methyl-1-propoxypentane?
The canonical SMILES for 5-methoxy-2-methyl-1-propoxypentane is CCCOCC(C)CCCOC.
What is the InChIKey of 5-methoxy-2-methyl-1-propoxypentane?
The InChIKey is KZJDTKSPQMNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-7-12-9-10(2)6-5-8-11-3/h10H,4-9H2,1-3H3.
What are the key properties of 5-methoxy-2-methyl-1-propoxypentane?
5-methoxy-2-methyl-1-propoxypentane has a molecular weight of 174.28 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-propoxypentane is sourced from PubChem (CID 57215841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).