11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride

C43H64ClO2P — CID 175312709

IUPAC11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
SMILESCCCCCCCOC(CCCCCC=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCC.[Cl-]
InChIInChI=1S/C43H64O2P.ClH/c1-3-5-7-14-27-37-44-43(45-38-28-15-8-6-4-2)36-26-13-11-9-10-12-16-29-39-46(40-30-20-17-21-31-40,41-32-22-18-23-33-41)42-34-24-19-25-35-42;/h10,12,17-25,30-35,43H,3-9,11,13-16,26-29,36-39H2,1-2H3;1H/q+1;/p-1
InChIKeyGHKXHTKMUDLPLF-UHFFFAOYSA-M
MW679.41 g/mol
LogP8.57
Rot. Bonds27

About 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride

11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride (PubChem CID 175312709) has the molecular formula C43H64ClO2P and a molecular weight of 679.41 g/mol. Its IUPAC name is 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
PubChem CID175312709
Molecular FormulaC43H64ClO2P
Molecular Weight679.41 g/mol
Exact Mass678.43
IUPAC Name11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
SMILESCCCCCCCOC(CCCCCC=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCC.[Cl-]
InChIInChI=1S/C43H64O2P.ClH/c1-3-5-7-14-27-37-44-43(45-38-28-15-8-6-4-2)36-26-13-11-9-10-12-16-29-39-46(40-30-20-17-21-31-40,41-32-22-18-23-33-41)42-34-24-19-25-35-42;/h10,12,17-25,30-35,43H,3-9,11,13-16,26-29,36-39H2,1-2H3;1H/q+1;/p-1
InChIKeyGHKXHTKMUDLPLF-UHFFFAOYSA-M
XLogP8.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.41
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
[(E)-11,11-dibutoxyundec-4-enyl]-triphenylphosphanium
CID 175312604
[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
CID 175312685
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(Z)-11,11-diheptoxyundec-4-enyl]-tris(2-methylphenyl)phosphanium
CID 165175118
chloro-[4-[(Z)-11,11-diheptoxyundec-4-enyl]phenyl]-diphenylphosphanium
CID 165174869
12,12-diheptoxydodec-1-enoxymethoxymethylbenzene
CID 163205468
7,7-didecoxyhept-1-enoxymethoxymethylbenzene
CID 162392443
triphenyl(undecyl)phosphanium chloride
CID 22921220
[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
CID 175312569

Frequently Asked Questions

What is the IUPAC name of 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride?
The IUPAC name of 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride (CID 175312709) is 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride?
The canonical SMILES for 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride is CCCCCCCOC(CCCCCC=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCC.[Cl-].
What is the InChIKey of 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride?
The InChIKey is GHKXHTKMUDLPLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C43H64O2P.ClH/c1-3-5-7-14-27-37-44-43(45-38-28-15-8-6-4-2)36-26-13-11-9-10-12-16-29-39-46(40-30-20-17-21-31-40,41-32-22-18-23-33-41)42-34-24-19-25-35-42;/h10,12,17-25,30-35,43H,3-9,11,13-16,26-29,36-39H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride?
11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride has a molecular weight of 679.41 g/mol, XLogP of 8.57, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 175312709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).