bis(2-methylpentyl) pentanedioate

C17H32O4 — CID 91705399

IUPACbis(2-methylpentyl) pentanedioate
SMILESCCCC(C)COC(=O)CCCC(=O)OCC(C)CCC
InChIInChI=1S/C17H32O4/c1-5-8-14(3)12-20-16(18)10-7-11-17(19)21-13-15(4)9-6-2/h14-15H,5-13H2,1-4H3
InChIKeyBYJMJRHWQYADAV-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.12
Rot. Bonds12

About bis(2-methylpentyl) pentanedioate

bis(2-methylpentyl) pentanedioate (PubChem CID 91705399) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is bis(2-methylpentyl) pentanedioate.

Molecular Properties

Compound Namebis(2-methylpentyl) pentanedioate
PubChem CID91705399
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Namebis(2-methylpentyl) pentanedioate
SMILESCCCC(C)COC(=O)CCCC(=O)OCC(C)CCC
InChIInChI=1S/C17H32O4/c1-5-8-14(3)12-20-16(18)10-7-11-17(19)21-13-15(4)9-6-2/h14-15H,5-13H2,1-4H3
InChIKeyBYJMJRHWQYADAV-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(2-methylpentyl) pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl glutarate
CID 13163
Diisobutyl Glutarate
CID 117054
Dibutyl glutarate
CID 81101
Bis(2-ethylhexyl) glutarate
CID 89482
Dimethyl methylglutarate
CID 118086
Diisostearyl Glutarate
CID 22287872
Dimethyl 2,4-dimethylpentanedioate
CID 137437
Diethyl 2,4-dimethylpentanedioate
CID 261498
Glutaric acid, di(2-propylpentyl) ester
CID 91706098
Dibutyl 3-methylpentanedioate
CID 41695
Pentanedioic acid, 1,5-diisodecyl ester
CID 62848
Diethyl 2-methylglutarate
CID 86764

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpentyl) pentanedioate?
The IUPAC name of bis(2-methylpentyl) pentanedioate (CID 91705399) is bis(2-methylpentyl) pentanedioate.
What is the SMILES notation for bis(2-methylpentyl) pentanedioate?
The canonical SMILES for bis(2-methylpentyl) pentanedioate is CCCC(C)COC(=O)CCCC(=O)OCC(C)CCC.
What is the InChIKey of bis(2-methylpentyl) pentanedioate?
The InChIKey is BYJMJRHWQYADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-5-8-14(3)12-20-16(18)10-7-11-17(19)21-13-15(4)9-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of bis(2-methylpentyl) pentanedioate?
bis(2-methylpentyl) pentanedioate has a molecular weight of 300.44 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpentyl) pentanedioate is sourced from PubChem (CID 91705399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).