3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid

C14H24O6 — CID 156602896

IUPAC3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid
SMILESCC(CC=CCC(C)C(O)CC(=O)O)C(O)CC(=O)O
InChIInChI=1S/C14H24O6/c1-9(11(15)7-13(17)18)5-3-4-6-10(2)12(16)8-14(19)20/h3-4,9-12,15-16H,5-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFIDISSFBBFUTOK-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.27
Rot. Bonds10

About 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid

3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid (PubChem CID 156602896) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid.

Molecular Properties

Compound Name3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid
PubChem CID156602896
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid
SMILESCC(CC=CCC(C)C(O)CC(=O)O)C(O)CC(=O)O
InChIInChI=1S/C14H24O6/c1-9(11(15)7-13(17)18)5-3-4-6-10(2)12(16)8-14(19)20/h3-4,9-12,15-16H,5-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFIDISSFBBFUTOK-UHFFFAOYSA-N
XLogP1.27
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid?
The IUPAC name of 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid (CID 156602896) is 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid.
What is the SMILES notation for 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid?
The canonical SMILES for 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid is CC(CC=CCC(C)C(O)CC(=O)O)C(O)CC(=O)O.
What is the InChIKey of 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid?
The InChIKey is FIDISSFBBFUTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-9(11(15)7-13(17)18)5-3-4-6-10(2)12(16)8-14(19)20/h3-4,9-12,15-16H,5-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid?
3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid has a molecular weight of 288.34 g/mol, XLogP of 1.27, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dihydroxy-4,9-dimethyldodec-6-enedioic acid is sourced from PubChem (CID 156602896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).