diethyl 3,3-dipropylpentanedioate

C15H28O4 — CID 118366787

IUPACdiethyl 3,3-dipropylpentanedioate
SMILESCCCC(CCC)(CC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C15H28O4/c1-5-9-15(10-6-2,11-13(16)18-7-3)12-14(17)19-8-4/h5-12H2,1-4H3
InChIKeySJLZBOWUXRTJHY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.48
Rot. Bonds10

About diethyl 3,3-dipropylpentanedioate

diethyl 3,3-dipropylpentanedioate (PubChem CID 118366787) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is diethyl 3,3-dipropylpentanedioate.

Molecular Properties

Compound Namediethyl 3,3-dipropylpentanedioate
PubChem CID118366787
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namediethyl 3,3-dipropylpentanedioate
SMILESCCCC(CCC)(CC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C15H28O4/c1-5-9-15(10-6-2,11-13(16)18-7-3)12-14(17)19-8-4/h5-12H2,1-4H3
InChIKeySJLZBOWUXRTJHY-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 3,3-dipropylpentanedioate?
The IUPAC name of diethyl 3,3-dipropylpentanedioate (CID 118366787) is diethyl 3,3-dipropylpentanedioate.
What is the SMILES notation for diethyl 3,3-dipropylpentanedioate?
The canonical SMILES for diethyl 3,3-dipropylpentanedioate is CCCC(CCC)(CC(=O)OCC)CC(=O)OCC.
What is the InChIKey of diethyl 3,3-dipropylpentanedioate?
The InChIKey is SJLZBOWUXRTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-9-15(10-6-2,11-13(16)18-7-3)12-14(17)19-8-4/h5-12H2,1-4H3.
What are the key properties of diethyl 3,3-dipropylpentanedioate?
diethyl 3,3-dipropylpentanedioate has a molecular weight of 272.38 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,3-dipropylpentanedioate is sourced from PubChem (CID 118366787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).