[oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate

C20H33O7P2-3 — CID 45479330

IUPAC[oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13-,20-15-
InChIKeyOINNEUNVOZHBOX-MVRGCTHJSA-K
MW447.43 g/mol
LogP4.46
Rot. Bonds14

About [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate

[oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate (PubChem CID 45479330) has the molecular formula C20H33O7P2-3 and a molecular weight of 447.43 g/mol. Its IUPAC name is [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate
PubChem CID45479330
Molecular FormulaC20H33O7P2-3
Molecular Weight447.43 g/mol
Exact Mass447.17
IUPAC Name[oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13-,20-15-
InChIKeyOINNEUNVOZHBOX-MVRGCTHJSA-K
XLogP4.46
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate with MolForge

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Related Compounds

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
Geranylgeranyl pyrophosphate
CID 447277
All-trans-nonaprenyl diphosphate
CID 5280650
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
CID 5281909
All-trans-hexaprenyl diphosphate
CID 5280413
Octaprenyl diphosphate
CID 5280651
2-Trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
CID 5497105
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
All-trans-decaprenyl diphosphate
CID 5462210

Frequently Asked Questions

What is the IUPAC name of [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate?
The IUPAC name of [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate (CID 45479330) is [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate.
What is the SMILES notation for [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate?
The canonical SMILES for [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate?
The InChIKey is OINNEUNVOZHBOX-MVRGCTHJSA-K. The full InChI is InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13-,20-15-.
What are the key properties of [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate?
[oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate has a molecular weight of 447.43 g/mol, XLogP of 4.46, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[(2Z,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] phosphate is sourced from PubChem (CID 45479330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).