[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate

C15H29O4P — CID 5280322

IUPAC[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate
SMILESCC(C)=CCC/C(C)=C/CCC(C)CCOP(=O)(O)O
InChIInChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+
InChIKeyDZHSRPJGCZHWOM-NTEUORMPSA-N
MW304.37 g/mol
LogP4.59
Rot. Bonds10

About [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate

[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate (PubChem CID 5280322) has the molecular formula C15H29O4P and a molecular weight of 304.37 g/mol. Its IUPAC name is [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate
PubChem CID5280322
Molecular FormulaC15H29O4P
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate
SMILESCC(C)=CCC/C(C)=C/CCC(C)CCOP(=O)(O)O
InChIInChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+
InChIKeyDZHSRPJGCZHWOM-NTEUORMPSA-N
XLogP4.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate?
The IUPAC name of [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate (CID 5280322) is [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate.
What is the SMILES notation for [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate?
The canonical SMILES for [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate is CC(C)=CCC/C(C)=C/CCC(C)CCOP(=O)(O)O.
What is the InChIKey of [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate?
The InChIKey is DZHSRPJGCZHWOM-NTEUORMPSA-N. The full InChI is InChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+.
What are the key properties of [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate?
[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate has a molecular weight of 304.37 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate is sourced from PubChem (CID 5280322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).