phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate

C15H24O7P2 — CID 10249049

IUPACphosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H24O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h5-11H,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b8-5+,10-6+,14-9+,15-11+
InChIKeyHGSJQRJNWSBKOL-BZCYSDSTSA-N
MW378.30 g/mol
LogP4.18
Rot. Bonds9

About phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate

phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate (PubChem CID 10249049) has the molecular formula C15H24O7P2 and a molecular weight of 378.30 g/mol. Its IUPAC name is phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate.

Molecular Properties

Compound Namephosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate
PubChem CID10249049
Molecular FormulaC15H24O7P2
Molecular Weight378.30 g/mol
Exact Mass378.10
IUPAC Namephosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C15H24O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h5-11H,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b8-5+,10-6+,14-9+,15-11+
InChIKeyHGSJQRJNWSBKOL-BZCYSDSTSA-N
XLogP4.18
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate with MolForge

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Related Compounds

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
Geranylgeranyl pyrophosphate
CID 447277
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
CID 5281909
All-trans-hexaprenyl diphosphate
CID 5280413
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
P-(3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl) trihydrogen (diphosphate)
CID 706
Geranyl diphosphate(3-)
CID 19379894
all-trans-Pentaprenyl diphosphate
CID 5280659
2-cis,6-cis-Farnesyl diphosphate
CID 11132720

Frequently Asked Questions

What is the IUPAC name of phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate?
The IUPAC name of phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate (CID 10249049) is phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate.
What is the SMILES notation for phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate?
The canonical SMILES for phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate is CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate?
The InChIKey is HGSJQRJNWSBKOL-BZCYSDSTSA-N. The full InChI is InChI=1S/C15H24O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h5-11H,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b8-5+,10-6+,14-9+,15-11+.
What are the key properties of phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate?
phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate has a molecular weight of 378.30 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono [(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenyl] hydrogen phosphate is sourced from PubChem (CID 10249049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).