phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate

C17H32O7P2 — CID 121473263

IUPACphosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate
SMILESCC(C)=CCCC(C)=CC(C)CC(C)=CC(C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C17H32O7P2/c1-13(2)8-7-9-14(3)10-15(4)11-16(5)12-17(6)23-26(21,22)24-25(18,19)20/h8,10,12,15,17H,7,9,11H2,1-6H3,(H,21,22)(H2,18,19,20)
InChIKeyAAMYSEUBJYSDBL-UHFFFAOYSA-N
MW410.38 g/mol
LogP5.27
Rot. Bonds11

About phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate

phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate (PubChem CID 121473263) has the molecular formula C17H32O7P2 and a molecular weight of 410.38 g/mol. Its IUPAC name is phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate.

Molecular Properties

Compound Namephosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate
PubChem CID121473263
Molecular FormulaC17H32O7P2
Molecular Weight410.38 g/mol
Exact Mass410.16
IUPAC Namephosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate
SMILESCC(C)=CCCC(C)=CC(C)CC(C)=CC(C)OP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C17H32O7P2/c1-13(2)8-7-9-14(3)10-15(4)11-16(5)12-17(6)23-26(21,22)24-25(18,19)20/h8,10,12,15,17H,7,9,11H2,1-6H3,(H,21,22)(H2,18,19,20)
InChIKeyAAMYSEUBJYSDBL-UHFFFAOYSA-N
XLogP5.27
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.38
LogP ≤ 55.27
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'}

Analyze phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-azido-3,7,11-trimethyldodeca-2,6,10-trienyl) phosphono hydrogen phosphate
CID 90869613
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 11132720
phosphono [(2Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 141397714
[(2E,6Z,10E,14E,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphate
CID 11285785
[(2E,6Z,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl] phosphono hydrogen phosphate
CID 11320104
phosphono [(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] hydrogen phosphate
CID 5280700
3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl phosphono hydrogen phosphate
CID 57250072
[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl] phosphono hydrogen phosphate
CID 24892764
[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] phosphono hydrogen phosphate
CID 5462210
azane;phosphono [(2E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 174684808
azane;phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
CID 71299734

Frequently Asked Questions

What is the IUPAC name of phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate?
The IUPAC name of phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate (CID 121473263) is phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate.
What is the SMILES notation for phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate?
The canonical SMILES for phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate is CC(C)=CCCC(C)=CC(C)CC(C)=CC(C)OP(=O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate?
The InChIKey is AAMYSEUBJYSDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O7P2/c1-13(2)8-7-9-14(3)10-15(4)11-16(5)12-17(6)23-26(21,22)24-25(18,19)20/h8,10,12,15,17H,7,9,11H2,1-6H3,(H,21,22)(H2,18,19,20).
What are the key properties of phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate?
phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate has a molecular weight of 410.38 g/mol, XLogP of 5.27, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 4,6,8,12-tetramethyltrideca-3,7,11-trien-2-yl hydrogen phosphate is sourced from PubChem (CID 121473263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).