[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium

C22H34O3P+ — CID 173398295

IUPAC[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium
SMILESCC(C)=CCCC(C)=CC=CO[P+](=O)OC=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H34O3P/c1-19(2)11-7-13-21(5)15-9-17-24-26(23)25-18-10-16-22(6)14-8-12-20(3)4/h9-12,15-18H,7-8,13-14H2,1-6H3/q+1/b17-9?,18-10?,21-15+,22-16?
InChIKeyOJYGDZMFZQGKAM-MJAANTCHSA-N
MW377.49 g/mol
LogP8.09
Rot. Bonds12

About [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium

[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium (PubChem CID 173398295) has the molecular formula C22H34O3P+ and a molecular weight of 377.49 g/mol. Its IUPAC name is [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium.

Molecular Properties

Compound Name[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium
PubChem CID173398295
Molecular FormulaC22H34O3P+
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium
SMILESCC(C)=CCCC(C)=CC=CO[P+](=O)OC=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H34O3P/c1-19(2)11-7-13-21(5)15-9-17-24-26(23)25-18-10-16-22(6)14-8-12-20(3)4/h9-12,15-18H,7-8,13-14H2,1-6H3/q+1/b17-9?,18-10?,21-15+,22-16?
InChIKeyOJYGDZMFZQGKAM-MJAANTCHSA-N
XLogP8.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl] dihydrogen phosphate
CID 140509369
3,7-dimethylocta-2,6-dienal
CID 8843
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
CID 50905460
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
CID 54479411
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
3,7,11-trimethyldodeca-2,4,6,10-tetraenal
CID 549769
CID 175955047
CID 175955047
(3E,5Z,7Z,9E)-6,10,14-trimethylpentadeca-3,5,7,9,13-pentaen-2-one
CID 134820096
3,7,11-trimethyldodeca-4,6,10-trien-2-one
CID 91406530
ethyl 5,9,13-trimethyltetradeca-2,4,8,12-tetraenoate
CID 54454310
6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
CID 88635558

Frequently Asked Questions

What is the IUPAC name of [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium?
The IUPAC name of [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium (CID 173398295) is [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium.
What is the SMILES notation for [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium?
The canonical SMILES for [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium is CC(C)=CCCC(C)=CC=CO[P+](=O)OC=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium?
The InChIKey is OJYGDZMFZQGKAM-MJAANTCHSA-N. The full InChI is InChI=1S/C22H34O3P/c1-19(2)11-7-13-21(5)15-9-17-24-26(23)25-18-10-16-22(6)14-8-12-20(3)4/h9-12,15-18H,7-8,13-14H2,1-6H3/q+1/b17-9?,18-10?,21-15+,22-16?.
What are the key properties of [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium?
[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium has a molecular weight of 377.49 g/mol, XLogP of 8.09, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium is sourced from PubChem (CID 173398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).