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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Related Compounds

(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853
(3E,6E,9R,10R)-10-hydroxy-4,9-dimethyldodeca-3,6-dienedioic acid
CID 162990775
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
3-hydroxy-4-methylnonanoic acid
CID 118395332
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
(3S,4R)-3-hydroxy-4-methyl-6-oxohexanamide
CID 118374709
(E,3S,4R,5R)-4-hydroxy-5-methyl-3-(methylamino)non-7-enoic acid
CID 155352131
(2S,3S)-3-hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid
CID 95789909
CID 90459779
CID 90459779
(E,3R,4S,5R)-3,5-dihydroxy-4-methyloct-6-enoic acid
CID 163050810
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
3-methylbutanoic acid
CID 20849036

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).