[oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate

C15H23O7P2-3 — CID 129320387

IUPAC[oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C15H26O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h6-7,9-11H,5,8,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b10-6+,14-9+,15-11+
InChIKeyVWUIKNIMFVYWDA-KYPPLYASSA-K
MW377.29 g/mol
LogP2.51
Rot. Bonds10

About [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate

[oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate (PubChem CID 129320387) has the molecular formula C15H23O7P2-3 and a molecular weight of 377.29 g/mol. Its IUPAC name is [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate
PubChem CID129320387
Molecular FormulaC15H23O7P2-3
Molecular Weight377.29 g/mol
Exact Mass377.09
IUPAC Name[oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C15H26O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h6-7,9-11H,5,8,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b10-6+,14-9+,15-11+
InChIKeyVWUIKNIMFVYWDA-KYPPLYASSA-K
XLogP2.51
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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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-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate?
The IUPAC name of [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate (CID 129320387) is [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate.
What is the SMILES notation for [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate?
The canonical SMILES for [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate is CC(C)=CCC/C(C)=C/C=C/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate?
The InChIKey is VWUIKNIMFVYWDA-KYPPLYASSA-K. The full InChI is InChI=1S/C15H26O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h6-7,9-11H,5,8,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b10-6+,14-9+,15-11+.
What are the key properties of [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate?
[oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate has a molecular weight of 377.29 g/mol, XLogP of 2.51, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoxy]phosphoryl] phosphate is sourced from PubChem (CID 129320387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).