didodecyl(2-pyridin-2-ylethenyl)phosphane

C31H56NP — CID 140620465

IUPACdidodecyl(2-pyridin-2-ylethenyl)phosphane
SMILESCCCCCCCCCCCCP(C=Cc1ccccn1)CCCCCCCCCCCC
InChIInChI=1S/C31H56NP/c1-3-5-7-9-11-13-15-17-19-23-28-33(30-26-31-25-21-22-27-32-31)29-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-27,30H,3-20,23-24,28-29H2,1-2H3
InChIKeyDJAOCEXNRAXMDL-UHFFFAOYSA-N
MW473.77 g/mol
LogP11.38
Rot. Bonds24

About didodecyl(2-pyridin-2-ylethenyl)phosphane

didodecyl(2-pyridin-2-ylethenyl)phosphane (PubChem CID 140620465) has the molecular formula C31H56NP and a molecular weight of 473.77 g/mol. Its IUPAC name is didodecyl(2-pyridin-2-ylethenyl)phosphane.

Molecular Properties

Compound Namedidodecyl(2-pyridin-2-ylethenyl)phosphane
PubChem CID140620465
Molecular FormulaC31H56NP
Molecular Weight473.77 g/mol
Exact Mass473.42
IUPAC Namedidodecyl(2-pyridin-2-ylethenyl)phosphane
SMILESCCCCCCCCCCCCP(C=Cc1ccccn1)CCCCCCCCCCCC
InChIInChI=1S/C31H56NP/c1-3-5-7-9-11-13-15-17-19-23-28-33(30-26-31-25-21-22-27-32-31)29-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-27,30H,3-20,23-24,28-29H2,1-2H3
InChIKeyDJAOCEXNRAXMDL-UHFFFAOYSA-N
XLogP11.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.77
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of didodecyl(2-pyridin-2-ylethenyl)phosphane?
The IUPAC name of didodecyl(2-pyridin-2-ylethenyl)phosphane (CID 140620465) is didodecyl(2-pyridin-2-ylethenyl)phosphane.
What is the SMILES notation for didodecyl(2-pyridin-2-ylethenyl)phosphane?
The canonical SMILES for didodecyl(2-pyridin-2-ylethenyl)phosphane is CCCCCCCCCCCCP(C=Cc1ccccn1)CCCCCCCCCCCC.
What is the InChIKey of didodecyl(2-pyridin-2-ylethenyl)phosphane?
The InChIKey is DJAOCEXNRAXMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56NP/c1-3-5-7-9-11-13-15-17-19-23-28-33(30-26-31-25-21-22-27-32-31)29-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-27,30H,3-20,23-24,28-29H2,1-2H3.
What are the key properties of didodecyl(2-pyridin-2-ylethenyl)phosphane?
didodecyl(2-pyridin-2-ylethenyl)phosphane has a molecular weight of 473.77 g/mol, XLogP of 11.38, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl(2-pyridin-2-ylethenyl)phosphane is sourced from PubChem (CID 140620465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).