1-[chloro(ethoxy)phosphoryl]docosane

C24H50ClO2P — CID 71395533

IUPAC1-[chloro(ethoxy)phosphoryl]docosane
SMILESCCCCCCCCCCCCCCCCCCCCCCP(=O)(Cl)OCC
InChIInChI=1S/C24H50ClO2P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25,26)27-4-2/h3-24H2,1-2H3
InChIKeyDFJOLINSZCIQGD-UHFFFAOYSA-N
MW437.09 g/mol
LogP10.28
Rot. Bonds23

About 1-[chloro(ethoxy)phosphoryl]docosane

1-[chloro(ethoxy)phosphoryl]docosane (PubChem CID 71395533) has the molecular formula C24H50ClO2P and a molecular weight of 437.09 g/mol. Its IUPAC name is 1-[chloro(ethoxy)phosphoryl]docosane.

Molecular Properties

Compound Name1-[chloro(ethoxy)phosphoryl]docosane
PubChem CID71395533
Molecular FormulaC24H50ClO2P
Molecular Weight437.09 g/mol
Exact Mass436.32
IUPAC Name1-[chloro(ethoxy)phosphoryl]docosane
SMILESCCCCCCCCCCCCCCCCCCCCCCP(=O)(Cl)OCC
InChIInChI=1S/C24H50ClO2P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25,26)27-4-2/h3-24H2,1-2H3
InChIKeyDFJOLINSZCIQGD-UHFFFAOYSA-N
XLogP10.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.09
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[chloro(ethoxy)phosphoryl]pentane
CID 13101834
1-[chloro(propoxy)phosphoryl]hexane
CID 20555775
1-[chloro(propoxy)phosphoryl]dodecane
CID 54374969
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
sodium ethoxy(tridecyl)phosphinate
CID 90661205
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
1-[chloro(methyl)phosphoryl]tetradecane
CID 54104937
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
1-[chloro(ethyl)phosphoryl]oxydecane
CID 98517423

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(ethoxy)phosphoryl]docosane?
The IUPAC name of 1-[chloro(ethoxy)phosphoryl]docosane (CID 71395533) is 1-[chloro(ethoxy)phosphoryl]docosane.
What is the SMILES notation for 1-[chloro(ethoxy)phosphoryl]docosane?
The canonical SMILES for 1-[chloro(ethoxy)phosphoryl]docosane is CCCCCCCCCCCCCCCCCCCCCCP(=O)(Cl)OCC.
What is the InChIKey of 1-[chloro(ethoxy)phosphoryl]docosane?
The InChIKey is DFJOLINSZCIQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50ClO2P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25,26)27-4-2/h3-24H2,1-2H3.
What are the key properties of 1-[chloro(ethoxy)phosphoryl]docosane?
1-[chloro(ethoxy)phosphoryl]docosane has a molecular weight of 437.09 g/mol, XLogP of 10.28, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethoxy)phosphoryl]docosane is sourced from PubChem (CID 71395533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).