1,1-diethoxyhex-2-enyl(triphenyl)phosphanium

C28H34O2P+ — CID 175489765

IUPAC1,1-diethoxyhex-2-enyl(triphenyl)phosphanium
SMILESCCCC=CC(OCC)(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O2P/c1-4-7-17-24-28(29-5-2,30-6-3)31(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h8-24H,4-7H2,1-3H3/q+1
InChIKeyJJFVTCRGUDALRS-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.06
Rot. Bonds11

About 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium

1,1-diethoxyhex-2-enyl(triphenyl)phosphanium (PubChem CID 175489765) has the molecular formula C28H34O2P+ and a molecular weight of 433.55 g/mol. Its IUPAC name is 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1,1-diethoxyhex-2-enyl(triphenyl)phosphanium
PubChem CID175489765
Molecular FormulaC28H34O2P+
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name1,1-diethoxyhex-2-enyl(triphenyl)phosphanium
SMILESCCCC=CC(OCC)(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O2P/c1-4-7-17-24-28(29-5-2,30-6-3)31(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h8-24H,4-7H2,1-3H3/q+1
InChIKeyJJFVTCRGUDALRS-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3,3-diethoxybutyl(triphenyl)phosphanium bromide
CID 87799243
1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole
CID 3849071
[(Z)-1-phenyloct-4-enyl]benzene
CID 143321928
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
2-[(E)-2-methylhept-3-en-2-yl]phenol
CID 142735625
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
[(E)-non-5-en-3-ynyl]-triphenylphosphanium
CID 11476770
1-phenylprop-2-enyl (Z)-hex-2-enoate
CID 25179403
1-ethenyl-4-[[4-[(Z)-pent-1-enyl]phenyl]-diphenylmethyl]benzene
CID 144673708

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium?
The IUPAC name of 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium (CID 175489765) is 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium is CCCC=CC(OCC)(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium?
The InChIKey is JJFVTCRGUDALRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2P/c1-4-7-17-24-28(29-5-2,30-6-3)31(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h8-24H,4-7H2,1-3H3/q+1.
What are the key properties of 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium?
1,1-diethoxyhex-2-enyl(triphenyl)phosphanium has a molecular weight of 433.55 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyhex-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 175489765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).