hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium

C15H26O4P+ — CID 88942982

IUPAChydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(O)O[P+](=O)O
InChIInChI=1S/C15H25O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)19-20(17)18/h7,9,11,15-16H,5-6,8,10H2,1-4H3/p+1/b13-9+,14-11+
InChIKeyHEISBYBPWGHVIA-IJFRVEDASA-O
MW301.34 g/mol
LogP4.39
Rot. Bonds9

About hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium

hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium (PubChem CID 88942982) has the molecular formula C15H26O4P+ and a molecular weight of 301.34 g/mol. Its IUPAC name is hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium
PubChem CID88942982
Molecular FormulaC15H26O4P+
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Namehydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(O)O[P+](=O)O
InChIInChI=1S/C15H25O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)19-20(17)18/h7,9,11,15-16H,5-6,8,10H2,1-4H3/p+1/b13-9+,14-11+
InChIKeyHEISBYBPWGHVIA-IJFRVEDASA-O
XLogP4.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis[(3E,7E)-2-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienoxy]-oxophosphanium
CID 22914190
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
3,7,11,15,19-pentamethyl-1-methylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 54376862
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium?
The IUPAC name of hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium (CID 88942982) is hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(O)O[P+](=O)O.
What is the InChIKey of hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium?
The InChIKey is HEISBYBPWGHVIA-IJFRVEDASA-O. The full InChI is InChI=1S/C15H25O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)19-20(17)18/h7,9,11,15-16H,5-6,8,10H2,1-4H3/p+1/b13-9+,14-11+.
What are the key properties of hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium?
hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium has a molecular weight of 301.34 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxophosphanium is sourced from PubChem (CID 88942982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).