[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium

C17H31O5P2+ — CID 123803002

IUPAC[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)OP(=O)(O)C=CCC(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/h8-9,11,14,17H,6-7,10,12-13H2,1-5H3/p+1
InChIKeyHZAJMCVLYDMUQV-UHFFFAOYSA-O
MW377.38 g/mol
LogP6.51
Rot. Bonds12

About [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium

[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium (PubChem CID 123803002) has the molecular formula C17H31O5P2+ and a molecular weight of 377.38 g/mol. Its IUPAC name is [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium.

Molecular Properties

Compound Name[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
PubChem CID123803002
Molecular FormulaC17H31O5P2+
Molecular Weight377.38 g/mol
Exact Mass377.16
IUPAC Name[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)OP(=O)(O)C=CCC(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/h8-9,11,14,17H,6-7,10,12-13H2,1-5H3/p+1
InChIKeyHZAJMCVLYDMUQV-UHFFFAOYSA-O
XLogP6.51
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 ≤ 56.51
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'}

Analyze [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium 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

[hydroxy(4,8,12-trimethyltrideca-3,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium
CID 57261758
[(6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaenyl] dihydrogen phosphate
CID 73427393
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66E,70E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75-nonadecamethylhexaheptaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74-octadecaenyl] dihydrogen phosphate
CID 91820439
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-6,10,14,18,22,26,30,34,38,42,46,50-dodecaenyl] dihydrogen phosphate
CID 91819787
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
phosphonooxy-[(6Z)-3,7,11-trimethyldodeca-6,10-dienyl]sulfanylphosphinic acid
CID 154585765

Frequently Asked Questions

What is the IUPAC name of [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
The IUPAC name of [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium (CID 123803002) is [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium.
What is the SMILES notation for [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
The canonical SMILES for [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium is CO[P+](=O)OP(=O)(O)C=CCC(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
The InChIKey is HZAJMCVLYDMUQV-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/h8-9,11,14,17H,6-7,10,12-13H2,1-5H3/p+1.
What are the key properties of [hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium?
[hydroxy(4,8,12-trimethyltrideca-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium has a molecular weight of 377.38 g/mol, XLogP of 6.51, 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-1,7,11-trienyl)phosphoryl]oxy-methoxy-oxophosphanium is sourced from PubChem (CID 123803002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).