1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid

C14H24O6 — CID 88566200

IUPAC1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C14H24O6/c1-6-13(4,10(17)18)8-14(5,11(19)20)7-12(2,3)9(15)16/h6-8H2,1-5H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyDDTSJVNSUJXZSN-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.47
Rot. Bonds8

About 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid

1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid (PubChem CID 88566200) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
PubChem CID88566200
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C14H24O6/c1-6-13(4,10(17)18)8-14(5,11(19)20)7-12(2,3)9(15)16/h6-8H2,1-5H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyDDTSJVNSUJXZSN-UHFFFAOYSA-N
XLogP2.47
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylic acid
CID 58114727
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tetratetracontamethylheptaoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontacarboxylic acid
CID 140793312
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecamethyltritriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecacarboxylic acid
CID 159235400
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-docosamethyltritetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosacarboxylic acid
CID 118067410
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
2-ethyl-5-methoxy-2,4,4-trimethyl-5-oxopentanoic acid;methane
CID 159489060
benzyl 2,2-dimethylbutanoate;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylic acid
CID 123711022
4-bromo-2-ethyl-2,4-dimethylhexanoic acid
CID 130468141
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
4-amino-2,2,4-trimethylhexanoic acid
CID 89085708

Frequently Asked Questions

What is the IUPAC name of 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid?
The IUPAC name of 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid (CID 88566200) is 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid.
What is the SMILES notation for 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid?
The canonical SMILES for 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid is CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid?
The InChIKey is DDTSJVNSUJXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-6-13(4,10(17)18)8-14(5,11(19)20)7-12(2,3)9(15)16/h6-8H2,1-5H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid?
1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid is sourced from PubChem (CID 88566200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).