2-ethenyldecane-1,1,1-tricarboxylic acid

C15H24O6 — CID 151254159

IUPAC2-ethenyldecane-1,1,1-tricarboxylic acid
SMILESC=CC(CCCCCCCC)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C15H24O6/c1-3-5-6-7-8-9-10-11(4-2)15(12(16)17,13(18)19)14(20)21/h4,11H,2-3,5-10H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNSYWSQCNOHFYFV-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.78
Rot. Bonds12

About 2-ethenyldecane-1,1,1-tricarboxylic acid

2-ethenyldecane-1,1,1-tricarboxylic acid (PubChem CID 151254159) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-ethenyldecane-1,1,1-tricarboxylic acid.

Molecular Properties

Compound Name2-ethenyldecane-1,1,1-tricarboxylic acid
PubChem CID151254159
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-ethenyldecane-1,1,1-tricarboxylic acid
SMILESC=CC(CCCCCCCC)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C15H24O6/c1-3-5-6-7-8-9-10-11(4-2)15(12(16)17,13(18)19)14(20)21/h4,11H,2-3,5-10H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNSYWSQCNOHFYFV-UHFFFAOYSA-N
XLogP2.78
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 140519407
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
oct-1-en-3-ol;propanoic acid
CID 57351786
11-decyl-12-ethenyl-11-propyldocosane
CID 150010749
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
ethenol;heptadecane
CID 158851930

Frequently Asked Questions

What is the IUPAC name of 2-ethenyldecane-1,1,1-tricarboxylic acid?
The IUPAC name of 2-ethenyldecane-1,1,1-tricarboxylic acid (CID 151254159) is 2-ethenyldecane-1,1,1-tricarboxylic acid.
What is the SMILES notation for 2-ethenyldecane-1,1,1-tricarboxylic acid?
The canonical SMILES for 2-ethenyldecane-1,1,1-tricarboxylic acid is C=CC(CCCCCCCC)C(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 2-ethenyldecane-1,1,1-tricarboxylic acid?
The InChIKey is NSYWSQCNOHFYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-3-5-6-7-8-9-10-11(4-2)15(12(16)17,13(18)19)14(20)21/h4,11H,2-3,5-10H2,1H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-ethenyldecane-1,1,1-tricarboxylic acid?
2-ethenyldecane-1,1,1-tricarboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 2.78, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyldecane-1,1,1-tricarboxylic acid is sourced from PubChem (CID 151254159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).