(2R)-2-dodecylbutanedioic acid

C16H30O4 — CID 98461760

IUPAC(2R)-2-dodecylbutanedioic acid
SMILESCCCCCCCCCCCC[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyYLAXZGYLWOGCBF-CQSZACIVSA-N
MW286.41 g/mol
LogP4.47
Rot. Bonds14

About (2R)-2-dodecylbutanedioic acid

(2R)-2-dodecylbutanedioic acid (PubChem CID 98461760) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2R)-2-dodecylbutanedioic acid.

Molecular Properties

Compound Name(2R)-2-dodecylbutanedioic acid
PubChem CID98461760
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(2R)-2-dodecylbutanedioic acid
SMILESCCCCCCCCCCCC[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyYLAXZGYLWOGCBF-CQSZACIVSA-N
XLogP4.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexadecylbutanedioic acid;octadecane
CID 174480572
CID 87764035
CID 87764035
2-dodecylbutanedioic acid;propan-2-ol
CID 88833990
2-(7-methylpentadecyl)butanedioic acid
CID 141435269
2-(9-ethyltetradecyl)butanedioic acid
CID 174907381
CID 6335534
CID 6335534
2-dodec-6-enylbutanedioic acid
CID 174779156
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-pentyldodecanoic acid
CID 18521426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-dodecylbutanedioic acid?
The IUPAC name of (2R)-2-dodecylbutanedioic acid (CID 98461760) is (2R)-2-dodecylbutanedioic acid.
What is the SMILES notation for (2R)-2-dodecylbutanedioic acid?
The canonical SMILES for (2R)-2-dodecylbutanedioic acid is CCCCCCCCCCCC[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-dodecylbutanedioic acid?
The InChIKey is YLAXZGYLWOGCBF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-dodecylbutanedioic acid?
(2R)-2-dodecylbutanedioic acid has a molecular weight of 286.41 g/mol, XLogP of 4.47, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-dodecylbutanedioic acid is sourced from PubChem (CID 98461760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).