2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid

C16H30O4 — CID 89048903

IUPAC2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
SMILESCCC(CC(C)C)(C(=O)O)C(CC)(CC(C)C)C(=O)O
InChIInChI=1S/C16H30O4/c1-7-15(13(17)18,9-11(3)4)16(8-2,14(19)20)10-12(5)6/h11-12H,7-10H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyHTYXVQCTBHKVSD-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.04
Rot. Bonds9

About 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid

2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid (PubChem CID 89048903) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid.

Molecular Properties

Compound Name2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
PubChem CID89048903
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
SMILESCCC(CC(C)C)(C(=O)O)C(CC)(CC(C)C)C(=O)O
InChIInChI=1S/C16H30O4/c1-7-15(13(17)18,9-11(3)4)16(8-2,14(19)20)10-12(5)6/h11-12H,7-10H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyHTYXVQCTBHKVSD-UHFFFAOYSA-N
XLogP4.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid?
The IUPAC name of 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid (CID 89048903) is 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid.
What is the SMILES notation for 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid?
The canonical SMILES for 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid is CCC(CC(C)C)(C(=O)O)C(CC)(CC(C)C)C(=O)O.
What is the InChIKey of 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid?
The InChIKey is HTYXVQCTBHKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-7-15(13(17)18,9-11(3)4)16(8-2,14(19)20)10-12(5)6/h11-12H,7-10H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid?
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid has a molecular weight of 286.41 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid is sourced from PubChem (CID 89048903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).