8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid

C12H18O5 — CID 90901765

IUPAC8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid
SMILESCC(=CC=CCC(C)C(O)CC(=O)O)C(=O)O
InChIInChI=1S/C12H18O5/c1-8(10(13)7-11(14)15)5-3-4-6-9(2)12(16)17/h3-4,6,8,10,13H,5,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMFAZHXZFFOFQJM-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.44
Rot. Bonds7

About 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid

8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid (PubChem CID 90901765) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid.

Molecular Properties

Compound Name8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid
PubChem CID90901765
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid
SMILESCC(=CC=CCC(C)C(O)CC(=O)O)C(=O)O
InChIInChI=1S/C12H18O5/c1-8(10(13)7-11(14)15)5-3-4-6-9(2)12(16)17/h3-4,6,8,10,13H,5,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMFAZHXZFFOFQJM-UHFFFAOYSA-N
XLogP1.44
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid?
The IUPAC name of 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid (CID 90901765) is 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid.
What is the SMILES notation for 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid?
The canonical SMILES for 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid is CC(=CC=CCC(C)C(O)CC(=O)O)C(=O)O.
What is the InChIKey of 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid?
The InChIKey is MFAZHXZFFOFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-8(10(13)7-11(14)15)5-3-4-6-9(2)12(16)17/h3-4,6,8,10,13H,5,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid?
8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid has a molecular weight of 242.27 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,7-dimethyldeca-2,4-dienedioic acid is sourced from PubChem (CID 90901765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).