[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride

C35H48ClO2P — CID 175312685

IUPAC[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
SMILESCCCOC(CCCCC/C=C\CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCCC.[Cl-]
InChIInChI=1S/C35H48O2P.ClH/c1-3-29-36-35(37-30-4-2)28-20-9-7-5-6-8-10-21-31-38(32-22-14-11-15-23-32,33-24-16-12-17-25-33)34-26-18-13-19-27-34;/h6,8,11-19,22-27,35H,3-5,7,9-10,20-21,28-31H2,1-2H3;1H/q+1;/p-1/b8-6-;
InChIKeyNASWGKVJTLWRJO-PHZXCRFESA-M
MW567.19 g/mol
LogP5.45
Rot. Bonds19

About [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride

[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride (PubChem CID 175312685) has the molecular formula C35H48ClO2P and a molecular weight of 567.19 g/mol. Its IUPAC name is [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
PubChem CID175312685
Molecular FormulaC35H48ClO2P
Molecular Weight567.19 g/mol
Exact Mass566.31
IUPAC Name[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride
SMILESCCCOC(CCCCC/C=C\CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCCC.[Cl-]
InChIInChI=1S/C35H48O2P.ClH/c1-3-29-36-35(37-30-4-2)28-20-9-7-5-6-8-10-21-31-38(32-22-14-11-15-23-32,33-24-16-12-17-25-33)34-26-18-13-19-27-34;/h6,8,11-19,22-27,35H,3-5,7,9-10,20-21,28-31H2,1-2H3;1H/q+1;/p-1/b8-6-;
InChIKeyNASWGKVJTLWRJO-PHZXCRFESA-M
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.19
LogP ≤ 55.45
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

11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
CID 175312709
[(E)-11,11-dibutoxyundec-4-enyl]-triphenylphosphanium
CID 175312604
[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
[(Z)-11,11-diheptoxyundec-4-enyl]-tris(2-methylphenyl)phosphanium
CID 165175118
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
deca-4,8-dienyl(triphenyl)phosphanium
CID 173274307
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
chloro-[4-[(Z)-11,11-diheptoxyundec-4-enyl]phenyl]-diphenylphosphanium
CID 165174869

Frequently Asked Questions

What is the IUPAC name of [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride?
The IUPAC name of [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride (CID 175312685) is [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride.
What is the SMILES notation for [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride?
The canonical SMILES for [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride is CCCOC(CCCCC/C=C\CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCCC.[Cl-].
What is the InChIKey of [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride?
The InChIKey is NASWGKVJTLWRJO-PHZXCRFESA-M. The full InChI is InChI=1S/C35H48O2P.ClH/c1-3-29-36-35(37-30-4-2)28-20-9-7-5-6-8-10-21-31-38(32-22-14-11-15-23-32,33-24-16-12-17-25-33)34-26-18-13-19-27-34;/h6,8,11-19,22-27,35H,3-5,7,9-10,20-21,28-31H2,1-2H3;1H/q+1;/p-1/b8-6-;.
What are the key properties of [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride?
[(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride has a molecular weight of 567.19 g/mol, XLogP of 5.45, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-11,11-dipropoxyundec-4-enyl]-triphenylphosphanium chloride is sourced from PubChem (CID 175312685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).