phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

C15H28O7P2 — CID 10970974

IUPACphosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11+
InChIKeyVWFJDQUYCIWHTN-GNESMGCMSA-N
MW382.33 g/mol
LogP4.63
Rot. Bonds11

About phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate (PubChem CID 10970974) has the molecular formula C15H28O7P2 and a molecular weight of 382.33 g/mol. Its IUPAC name is phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
PubChem CID10970974
Molecular FormulaC15H28O7P2
Molecular Weight382.33 g/mol
Exact Mass382.13
IUPAC Namephosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11+
InChIKeyVWFJDQUYCIWHTN-GNESMGCMSA-N
XLogP4.63
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate?
The IUPAC name of phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate (CID 10970974) is phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate?
The canonical SMILES for phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate is CC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate?
The InChIKey is VWFJDQUYCIWHTN-GNESMGCMSA-N. The full InChI is InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11+.
What are the key properties of phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate?
phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate has a molecular weight of 382.33 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate is sourced from PubChem (CID 10970974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).