[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium

C17H31O5P2+ — CID 57261758

IUPAC[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)OP(=O)(O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O5P2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-24(19,20)22-23(18)21-5/h9,11,13H,6-8,10,12,14H2,1-5H3/p+1
InChIKeyVYOKRGSBCGIEOS-UHFFFAOYSA-O
MW377.38 g/mol
LogP6.30
Rot. Bonds12

About [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium

[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium (PubChem CID 57261758) has the molecular formula C17H31O5P2+ and a molecular weight of 377.38 g/mol. Its IUPAC name is [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium.

Molecular Properties

Compound Name[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
PubChem CID57261758
Molecular FormulaC17H31O5P2+
Molecular Weight377.38 g/mol
Exact Mass377.16
IUPAC Name[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)OP(=O)(O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O5P2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-24(19,20)22-23(18)21-5/h9,11,13H,6-8,10,12,14H2,1-5H3/p+1
InChIKeyVYOKRGSBCGIEOS-UHFFFAOYSA-O
XLogP6.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.38
LogP ≤ 56.30
H-Bond Donors ≤ 51
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

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
CID 123803002
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene
CID 11335218
[(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
phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 11132720
triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate
CID 11222230
phosphono [(2Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 141397714
[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl] phosphono hydrogen phosphate
CID 24892764

Frequently Asked Questions

What is the IUPAC name of [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
The IUPAC name of [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium (CID 57261758) is [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium.
What is the SMILES notation for [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
The canonical SMILES for [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium is CO[P+](=O)OP(=O)(O)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
The InChIKey is VYOKRGSBCGIEOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H30O5P2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-24(19,20)22-23(18)21-5/h9,11,13H,6-8,10,12,14H2,1-5H3/p+1.
What are the key properties of [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium has a molecular weight of 377.38 g/mol, XLogP of 6.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium is sourced from PubChem (CID 57261758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).