2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid

C15H24O8 — CID 151980254

IUPAC2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid
SMILESCCC(CC)(CC)C(CC)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C15H24O8/c1-5-13(6-2,7-3)14(8-4,9(16)17)15(10(18)19,11(20)21)12(22)23/h5-8H2,1-4H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyUCNGKXDVNBHJBE-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.92
Rot. Bonds10

About 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid

2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid (PubChem CID 151980254) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid.

Molecular Properties

Compound Name2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid
PubChem CID151980254
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid
SMILESCCC(CC)(CC)C(CC)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C15H24O8/c1-5-13(6-2,7-3)14(8-4,9(16)17)15(10(18)19,11(20)21)12(22)23/h5-8H2,1-4H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyUCNGKXDVNBHJBE-UHFFFAOYSA-N
XLogP1.92
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2-(3-carboxypentan-3-ylperoxy)-2-ethylbutanoic acid
CID 141153642
2,2-diphosphonobutane-1,1,1-tricarboxylic acid
CID 54125067
azane;2,2-diethylbutanoic acid
CID 173369262
3-bromo-2,2-diethylpentane-1,1,1-tricarboxylic acid
CID 22439476
acetic acid;2,2-diethylbutanoic acid
CID 162011618
2,2-dimethylbutanoic acid;methane
CID 159782886
magnesium;2,2-diethylpropanedioic acid;hydride
CID 173359738
2-bis(3-carboxy-2-oxopentan-3-yl)alumanyl-2-ethyl-3-oxobutanoic acid
CID 57435549
2-butyl-2-chlorohexanoic acid
CID 178066863
2,2-dicyclopropylbutanoic acid
CID 139618787
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid?
The IUPAC name of 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid (CID 151980254) is 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid.
What is the SMILES notation for 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid?
The canonical SMILES for 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid is CCC(CC)(CC)C(CC)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid?
The InChIKey is UCNGKXDVNBHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O8/c1-5-13(6-2,7-3)14(8-4,9(16)17)15(10(18)19,11(20)21)12(22)23/h5-8H2,1-4H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid?
2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid has a molecular weight of 332.35 g/mol, XLogP of 1.92, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid is sourced from PubChem (CID 151980254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).