but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium

C30H42O2P+ — CID 175965116

IUPACbut-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium
SMILESCC=CC[P+](c1ccccc1-c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H42O2P/c1-4-5-23-33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)29-22-13-12-19-26(29)30-27(31-2)20-14-21-28(30)32-3/h4-5,12-14,19-22,24-25H,6-11,15-18,23H2,1-3H3/q+1
InChIKeyGEJROEQASWLQAS-UHFFFAOYSA-N
MW465.64 g/mol
LogP8.26
Rot. Bonds8

About but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium

but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium (PubChem CID 175965116) has the molecular formula C30H42O2P+ and a molecular weight of 465.64 g/mol. Its IUPAC name is but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium.

Molecular Properties

Compound Namebut-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium
PubChem CID175965116
Molecular FormulaC30H42O2P+
Molecular Weight465.64 g/mol
Exact Mass465.29
IUPAC Namebut-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium
SMILESCC=CC[P+](c1ccccc1-c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H42O2P/c1-4-5-23-33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)29-22-13-12-19-26(29)30-27(31-2)20-14-21-28(30)32-3/h4-5,12-14,19-22,24-25H,6-11,15-18,23H2,1-3H3/q+1
InChIKeyGEJROEQASWLQAS-UHFFFAOYSA-N
XLogP8.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium?
The IUPAC name of but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium (CID 175965116) is but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium.
What is the SMILES notation for but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium?
The canonical SMILES for but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium is CC=CC[P+](c1ccccc1-c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium?
The InChIKey is GEJROEQASWLQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2P/c1-4-5-23-33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)29-22-13-12-19-26(29)30-27(31-2)20-14-21-28(30)32-3/h4-5,12-14,19-22,24-25H,6-11,15-18,23H2,1-3H3/q+1.
What are the key properties of but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium?
but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium has a molecular weight of 465.64 g/mol, XLogP of 8.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl-dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium is sourced from PubChem (CID 175965116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).