didodecyl-methylidene-phenyl-λ5-phosphane

C31H57P — CID 139749154

IUPACdidodecyl-methylidene-phenyl-λ5-phosphane
SMILESC=P(CCCCCCCCCCCC)(CCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C31H57P/c1-4-6-8-10-12-14-16-18-20-25-29-32(3,31-27-23-22-24-28-31)30-26-21-19-17-15-13-11-9-7-5-2/h22-24,27-28H,3-21,25-26,29-30H2,1-2H3
InChIKeyICRKGFABKYMTCS-UHFFFAOYSA-N
MW460.77 g/mol
LogP10.60
Rot. Bonds23

About didodecyl-methylidene-phenyl-λ5-phosphane

didodecyl-methylidene-phenyl-λ5-phosphane (PubChem CID 139749154) has the molecular formula C31H57P and a molecular weight of 460.77 g/mol. Its IUPAC name is didodecyl-methylidene-phenyl-λ5-phosphane.

Molecular Properties

Compound Namedidodecyl-methylidene-phenyl-λ5-phosphane
PubChem CID139749154
Molecular FormulaC31H57P
Molecular Weight460.77 g/mol
Exact Mass460.42
IUPAC Namedidodecyl-methylidene-phenyl-λ5-phosphane
SMILESC=P(CCCCCCCCCCCC)(CCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C31H57P/c1-4-6-8-10-12-14-16-18-20-25-29-32(3,31-27-23-22-24-28-31)30-26-21-19-17-15-13-11-9-7-5-2/h22-24,27-28H,3-21,25-26,29-30H2,1-2H3
InChIKeyICRKGFABKYMTCS-UHFFFAOYSA-N
XLogP10.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.77
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
1,1'-biphenyl;hexadecane
CID 173308514
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
dipentylphosphorylbenzene;methane;1,3,5-trimethylbenzene
CID 174903379
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
di(tridecoxy)phosphorylbenzene
CID 87531060
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
decane;sulfane;toluene
CID 157105742
ethane;heptane;toluene
CID 145106448

Frequently Asked Questions

What is the IUPAC name of didodecyl-methylidene-phenyl-λ5-phosphane?
The IUPAC name of didodecyl-methylidene-phenyl-λ5-phosphane (CID 139749154) is didodecyl-methylidene-phenyl-λ5-phosphane.
What is the SMILES notation for didodecyl-methylidene-phenyl-λ5-phosphane?
The canonical SMILES for didodecyl-methylidene-phenyl-λ5-phosphane is C=P(CCCCCCCCCCCC)(CCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of didodecyl-methylidene-phenyl-λ5-phosphane?
The InChIKey is ICRKGFABKYMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57P/c1-4-6-8-10-12-14-16-18-20-25-29-32(3,31-27-23-22-24-28-31)30-26-21-19-17-15-13-11-9-7-5-2/h22-24,27-28H,3-21,25-26,29-30H2,1-2H3.
What are the key properties of didodecyl-methylidene-phenyl-λ5-phosphane?
didodecyl-methylidene-phenyl-λ5-phosphane has a molecular weight of 460.77 g/mol, XLogP of 10.60, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl-methylidene-phenyl-λ5-phosphane is sourced from PubChem (CID 139749154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).