(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate

C15H28O7P2 — CID 90389130

IUPAC(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
SMILESC=CC(=C)CC/C=C(\C)CCC=C(C)C.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C15H24.H4O7P2/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-8(2,3)7-9(4,5)6/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3;(H2,1,2,3)(H2,4,5,6)/b15-12+;
InChIKeyHXTQOBJGSAPNLS-JRUHLWALSA-N
MW382.33 g/mol
LogP4.39
Rot. Bonds9

About (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate (PubChem CID 90389130) has the molecular formula C15H28O7P2 and a molecular weight of 382.33 g/mol. Its IUPAC name is (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate.

Molecular Properties

Compound Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
PubChem CID90389130
Molecular FormulaC15H28O7P2
Molecular Weight382.33 g/mol
Exact Mass382.13
IUPAC Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
SMILESC=CC(=C)CC/C=C(\C)CCC=C(C)C.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C15H24.H4O7P2/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-8(2,3)7-9(4,5)6/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3;(H2,1,2,3)(H2,4,5,6)/b15-12+;
InChIKeyHXTQOBJGSAPNLS-JRUHLWALSA-N
XLogP4.39
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 11132720
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
phosphono [(2Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 141397714
[(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
[(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
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
[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl] phosphono hydrogen phosphate
CID 24892764
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

Frequently Asked Questions

What is the IUPAC name of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate?
The IUPAC name of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate (CID 90389130) is (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate.
What is the SMILES notation for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate?
The canonical SMILES for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate is C=CC(=C)CC/C=C(\C)CCC=C(C)C.O=P(O)(O)OP(=O)(O)O.
What is the InChIKey of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate?
The InChIKey is HXTQOBJGSAPNLS-JRUHLWALSA-N. The full InChI is InChI=1S/C15H24.H4O7P2/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-8(2,3)7-9(4,5)6/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3;(H2,1,2,3)(H2,4,5,6)/b15-12+;.
What are the key properties of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate?
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate has a molecular weight of 382.33 g/mol, XLogP of 4.39, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate is sourced from PubChem (CID 90389130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).