dipropan-2-yl 2-methylbutanedioate

C11H20O4 — CID 12598770

IUPACdipropan-2-yl 2-methylbutanedioate
SMILESCC(C)OC(=O)CC(C)C(=O)OC(C)C
InChIInChI=1S/C11H20O4/c1-7(2)14-10(12)6-9(5)11(13)15-8(3)4/h7-9H,6H2,1-5H3
InChIKeyUATAIXVTHZBDAF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds5

About dipropan-2-yl 2-methylbutanedioate

dipropan-2-yl 2-methylbutanedioate (PubChem CID 12598770) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is dipropan-2-yl 2-methylbutanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-methylbutanedioate
PubChem CID12598770
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namedipropan-2-yl 2-methylbutanedioate
SMILESCC(C)OC(=O)CC(C)C(=O)OC(C)C
InChIInChI=1S/C11H20O4/c1-7(2)14-10(12)6-9(5)11(13)15-8(3)4/h7-9H,6H2,1-5H3
InChIKeyUATAIXVTHZBDAF-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dipropan-2-yl 2-methylbutanedioate 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 dipropan-2-yl 2-methylbutanedioate?
The IUPAC name of dipropan-2-yl 2-methylbutanedioate (CID 12598770) is dipropan-2-yl 2-methylbutanedioate.
What is the SMILES notation for dipropan-2-yl 2-methylbutanedioate?
The canonical SMILES for dipropan-2-yl 2-methylbutanedioate is CC(C)OC(=O)CC(C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-methylbutanedioate?
The InChIKey is UATAIXVTHZBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(2)14-10(12)6-9(5)11(13)15-8(3)4/h7-9H,6H2,1-5H3.
What are the key properties of dipropan-2-yl 2-methylbutanedioate?
dipropan-2-yl 2-methylbutanedioate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-methylbutanedioate is sourced from PubChem (CID 12598770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).