[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate

C12H23O4P — CID 12949387

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H23O4P/c1-11(2)7-6-8-12(3)9-10-16-17(13,14-4)15-5/h7,9H,6,8,10H2,1-5H3/b12-9+
InChIKeyUUDUQBDRKOPJLB-FMIVXFBMSA-N
MW262.29 g/mol
LogP4.10
Rot. Bonds8

About [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate

[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate (PubChem CID 12949387) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate
PubChem CID12949387
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H23O4P/c1-11(2)7-6-8-12(3)9-10-16-17(13,14-4)15-5/h7,9H,6,8,10H2,1-5H3/b12-9+
InChIKeyUUDUQBDRKOPJLB-FMIVXFBMSA-N
XLogP4.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
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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Related Compounds

tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
CID 122511254
bis[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]phosphoryl bis[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 118025714
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;phosphoric acid
CID 174363137
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;3,7,11-trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 174760400
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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] dihydrogen phosphate
CID 11388871
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
CID 10357552
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
CID 11791843
[(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] phosphate
CID 25245635
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 146014787
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
CID 155290577
[(2E)-3,7-dimethylocta-2,6-dienyl] phosphonooxy hydrogen phosphate
CID 135057363
[[(2E)-3,7-dimethylocta-2,6-dienoxy]-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phosphoryl] [hydroxy(phosphonooxy)phosphoryl] 3,7,11-trimethyldodeca-2,6,10-trienyl phosphate
CID 174057821

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate (CID 12949387) is [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate is COP(=O)(OC)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate?
The InChIKey is UUDUQBDRKOPJLB-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H23O4P/c1-11(2)7-6-8-12(3)9-10-16-17(13,14-4)15-5/h7,9H,6,8,10H2,1-5H3/b12-9+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate?
[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate has a molecular weight of 262.29 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate is sourced from PubChem (CID 12949387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).