2,3-dibutylbutanedioic acid

C12H22O4 — CID 14902203

IUPAC2,3-dibutylbutanedioic acid
SMILESCCCCC(C(=O)O)C(CCCC)C(=O)O
InChIInChI=1S/C12H22O4/c1-3-5-7-9(11(13)14)10(12(15)16)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBQNDPALRJDCXOY-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.77
Rot. Bonds9

About 2,3-dibutylbutanedioic acid

2,3-dibutylbutanedioic acid (PubChem CID 14902203) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,3-dibutylbutanedioic acid.

Molecular Properties

Compound Name2,3-dibutylbutanedioic acid
PubChem CID14902203
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,3-dibutylbutanedioic acid
SMILESCCCCC(C(=O)O)C(CCCC)C(=O)O
InChIInChI=1S/C12H22O4/c1-3-5-7-9(11(13)14)10(12(15)16)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBQNDPALRJDCXOY-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutylbutanedioic acid?
The IUPAC name of 2,3-dibutylbutanedioic acid (CID 14902203) is 2,3-dibutylbutanedioic acid.
What is the SMILES notation for 2,3-dibutylbutanedioic acid?
The canonical SMILES for 2,3-dibutylbutanedioic acid is CCCCC(C(=O)O)C(CCCC)C(=O)O.
What is the InChIKey of 2,3-dibutylbutanedioic acid?
The InChIKey is BQNDPALRJDCXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-5-7-9(11(13)14)10(12(15)16)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,3-dibutylbutanedioic acid?
2,3-dibutylbutanedioic acid has a molecular weight of 230.30 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutylbutanedioic acid is sourced from PubChem (CID 14902203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).