2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid

C16H30O6 — CID 22988674

IUPAC2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid
SMILESCC(C)OC(C(=O)O)(C(C)C)C(OC(C)C)(C(=O)O)C(C)C
InChIInChI=1S/C16H30O6/c1-9(2)15(13(17)18,21-11(5)6)16(10(3)4,14(19)20)22-12(7)8/h9-12H,1-8H3,(H,17,18)(H,19,20)
InChIKeyAACPLRMNVWOYCH-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.80
Rot. Bonds9

About 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid

2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid (PubChem CID 22988674) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid
PubChem CID22988674
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid
SMILESCC(C)OC(C(=O)O)(C(C)C)C(OC(C)C)(C(=O)O)C(C)C
InChIInChI=1S/C16H30O6/c1-9(2)15(13(17)18,21-11(5)6)16(10(3)4,14(19)20)22-12(7)8/h9-12H,1-8H3,(H,17,18)(H,19,20)
InChIKeyAACPLRMNVWOYCH-UHFFFAOYSA-N
XLogP2.80
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid 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 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid?
The IUPAC name of 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid (CID 22988674) is 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid.
What is the SMILES notation for 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid?
The canonical SMILES for 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid is CC(C)OC(C(=O)O)(C(C)C)C(OC(C)C)(C(=O)O)C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid?
The InChIKey is AACPLRMNVWOYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-9(2)15(13(17)18,21-11(5)6)16(10(3)4,14(19)20)22-12(7)8/h9-12H,1-8H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid?
2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid has a molecular weight of 318.41 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid is sourced from PubChem (CID 22988674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).