1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane

C30H64O3P2 — CID 54423327

IUPAC1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
SMILESCCCCCCCCCCCCCCP(C)(=O)OP(C)(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C30H64O3P2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34(3,31)33-35(4,32)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3
InChIKeyWCIJSHJAEPZBAO-UHFFFAOYSA-N
MW534.79 g/mol
LogP12.22
Rot. Bonds28

About 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane

1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane (PubChem CID 54423327) has the molecular formula C30H64O3P2 and a molecular weight of 534.79 g/mol. Its IUPAC name is 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane.

Molecular Properties

Compound Name1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
PubChem CID54423327
Molecular FormulaC30H64O3P2
Molecular Weight534.79 g/mol
Exact Mass534.43
IUPAC Name1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
SMILESCCCCCCCCCCCCCCP(C)(=O)OP(C)(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C30H64O3P2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34(3,31)33-35(4,32)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3
InChIKeyWCIJSHJAEPZBAO-UHFFFAOYSA-N
XLogP12.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.79
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[decyl(methyl)phosphoryl]oxydecane
CID 174626419
1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
1-[methyl(propan-2-yl)phosphoryl]nonane
CID 167168561
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
1-[chloro(methyl)phosphoryl]tetradecane
CID 54104937
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
decyl(methoxy)phosphinic acid
CID 54568982
1-[bromo(pentyl)phosphoryl]pentane
CID 139970522
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane?
The IUPAC name of 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane (CID 54423327) is 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane.
What is the SMILES notation for 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane?
The canonical SMILES for 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane is CCCCCCCCCCCCCCP(C)(=O)OP(C)(=O)CCCCCCCCCCCCCC.
What is the InChIKey of 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane?
The InChIKey is WCIJSHJAEPZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O3P2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34(3,31)33-35(4,32)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3.
What are the key properties of 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane?
1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane has a molecular weight of 534.79 g/mol, XLogP of 12.22, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane is sourced from PubChem (CID 54423327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).