5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate

C15H28O5 — CID 91705606

IUPAC5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate
SMILESCCCOC(=O)CCCC(=O)OCCC(C)CCOC
InChIInChI=1S/C15H28O5/c1-4-10-19-14(16)6-5-7-15(17)20-12-9-13(2)8-11-18-3/h13H,4-12H2,1-3H3
InChIKeyGWRVEXJAWQUOHL-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.72
Rot. Bonds12

About 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate

5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate (PubChem CID 91705606) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate.

Molecular Properties

Compound Name5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate
PubChem CID91705606
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate
SMILESCCCOC(=O)CCCC(=O)OCCC(C)CCOC
InChIInChI=1S/C15H28O5/c1-4-10-19-14(16)6-5-7-15(17)20-12-9-13(2)8-11-18-3/h13H,4-12H2,1-3H3
InChIKeyGWRVEXJAWQUOHL-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate 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-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate?
The IUPAC name of 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate (CID 91705606) is 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate.
What is the SMILES notation for 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate?
The canonical SMILES for 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate is CCCOC(=O)CCCC(=O)OCCC(C)CCOC.
What is the InChIKey of 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate?
The InChIKey is GWRVEXJAWQUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-4-10-19-14(16)6-5-7-15(17)20-12-9-13(2)8-11-18-3/h13H,4-12H2,1-3H3.
What are the key properties of 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate?
5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate has a molecular weight of 288.38 g/mol, XLogP of 2.72, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(5-methoxy-3-methylpentyl) 1-O-propyl pentanedioate is sourced from PubChem (CID 91705606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).