(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid

C12H18O8 — CID 91799587

IUPAC(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
SMILESC[C@H](C[C@H](CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7?,8-/m1/s1
InChIKeyUEYGDIASMOPQFG-OECOWPMFSA-N
MW290.27 g/mol
LogP0.75
Rot. Bonds10

About (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid

(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid (PubChem CID 91799587) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid.

Molecular Properties

Compound Name(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
PubChem CID91799587
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
SMILESC[C@H](C[C@H](CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7?,8-/m1/s1
InChIKeyUEYGDIASMOPQFG-OECOWPMFSA-N
XLogP0.75
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-2,4-dimethylheptanedioic acid
CID 177439281
4,6-dicarboxyhexan-2-yl(oxo)sulfanium
CID 174058911
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
1-methyldodecane-1,2,3,4,6,8,10,12-octacarboxylic acid
CID 170013158
calcium;hydride;2-methylpentanedioic acid
CID 173414295
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
butanedioic acid;2-(hydroxymethyl)pentanedioic acid
CID 87135805
2-ethylbutanedioic acid;2-methylbutanedioic acid;2-methylpentanedioic acid
CID 159000769
2-methylpentanedioic acid;3-methylpentanedioic acid
CID 159942344
hexane-1,2,5-tricarboxylic acid
CID 14251275
2-(3-hydroxypentyl)pentanedioic acid
CID 134211777

Frequently Asked Questions

What is the IUPAC name of (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid?
The IUPAC name of (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid (CID 91799587) is (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid.
What is the SMILES notation for (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid?
The canonical SMILES for (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid is C[C@H](C[C@H](CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid?
The InChIKey is UEYGDIASMOPQFG-OECOWPMFSA-N. The full InChI is InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7?,8-/m1/s1.
What are the key properties of (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid?
(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 0.75, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid is sourced from PubChem (CID 91799587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).