2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid

C20H38O4 — CID 118610937

IUPAC2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
SMILESCC(C)CC(C(=O)O)(C(C)(C)C)C(CC(C)C)(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H38O4/c1-13(2)11-19(15(21)22,17(5,6)7)20(16(23)24,12-14(3)4)18(8,9)10/h13-14H,11-12H2,1-10H3,(H,21,22)(H,23,24)
InChIKeyDVWGETJADXBONC-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.31
Rot. Bonds7

About 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid

2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid (PubChem CID 118610937) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid.

Molecular Properties

Compound Name2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
PubChem CID118610937
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
SMILESCC(C)CC(C(=O)O)(C(C)(C)C)C(CC(C)C)(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H38O4/c1-13(2)11-19(15(21)22,17(5,6)7)20(16(23)24,12-14(3)4)18(8,9)10/h13-14H,11-12H2,1-10H3,(H,21,22)(H,23,24)
InChIKeyDVWGETJADXBONC-UHFFFAOYSA-N
XLogP5.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 139819668
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
2-tert-butyl-2,3-bis(2,2-dimethylpropyl)-3-propan-2-ylbutanedioic acid
CID 87291822
2-tert-butylsulfanyl-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 57248485
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
[(3S)-3-formyl-2,2,5-trimethylhexan-3-yl]carbamic acid
CID 87725612
(2S)-2-acetyl-4-methyl-2-(sulfanylmethyl)pentanoic acid
CID 174588607
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid?
The IUPAC name of 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid (CID 118610937) is 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid.
What is the SMILES notation for 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid?
The canonical SMILES for 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid is CC(C)CC(C(=O)O)(C(C)(C)C)C(CC(C)C)(C(=O)O)C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid?
The InChIKey is DVWGETJADXBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-13(2)11-19(15(21)22,17(5,6)7)20(16(23)24,12-14(3)4)18(8,9)10/h13-14H,11-12H2,1-10H3,(H,21,22)(H,23,24).
What are the key properties of 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid?
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid has a molecular weight of 342.52 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid is sourced from PubChem (CID 118610937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).