1-[chloro(propoxy)phosphoryl]dodecane

C15H32ClO2P — CID 54374969

IUPAC1-[chloro(propoxy)phosphoryl]dodecane
SMILESCCCCCCCCCCCCP(=O)(Cl)OCCC
InChIInChI=1S/C15H32ClO2P/c1-3-5-6-7-8-9-10-11-12-13-15-19(16,17)18-14-4-2/h3-15H2,1-2H3
InChIKeyUVVVCKZZPSVQEU-UHFFFAOYSA-N
MW310.85 g/mol
LogP6.77
Rot. Bonds14

About 1-[chloro(propoxy)phosphoryl]dodecane

1-[chloro(propoxy)phosphoryl]dodecane (PubChem CID 54374969) has the molecular formula C15H32ClO2P and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-[chloro(propoxy)phosphoryl]dodecane.

Molecular Properties

Compound Name1-[chloro(propoxy)phosphoryl]dodecane
PubChem CID54374969
Molecular FormulaC15H32ClO2P
Molecular Weight310.85 g/mol
Exact Mass310.18
IUPAC Name1-[chloro(propoxy)phosphoryl]dodecane
SMILESCCCCCCCCCCCCP(=O)(Cl)OCCC
InChIInChI=1S/C15H32ClO2P/c1-3-5-6-7-8-9-10-11-12-13-15-19(16,17)18-14-4-2/h3-15H2,1-2H3
InChIKeyUVVVCKZZPSVQEU-UHFFFAOYSA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.85
LogP ≤ 56.77
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(propoxy)phosphoryl]hexane
CID 20555775
1-[chloro(ethoxy)phosphoryl]docosane
CID 71395533
1-[chloro(ethoxy)phosphoryl]pentane
CID 13101834
1-[chloro(ethyl)phosphoryl]oxydecane
CID 98517423
1-[decyl(methyl)phosphoryl]oxydecane
CID 174626419
1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
1-dichlorophosphoryloxyoctadecane
CID 88757359
1-[chloro(methyl)phosphoryl]tetradecane
CID 54104937
1-dihexoxyphosphoryltetradecane
CID 151638840
1-didecoxyphosphoryltetradecane
CID 151616748
1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(propoxy)phosphoryl]dodecane?
The IUPAC name of 1-[chloro(propoxy)phosphoryl]dodecane (CID 54374969) is 1-[chloro(propoxy)phosphoryl]dodecane.
What is the SMILES notation for 1-[chloro(propoxy)phosphoryl]dodecane?
The canonical SMILES for 1-[chloro(propoxy)phosphoryl]dodecane is CCCCCCCCCCCCP(=O)(Cl)OCCC.
What is the InChIKey of 1-[chloro(propoxy)phosphoryl]dodecane?
The InChIKey is UVVVCKZZPSVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClO2P/c1-3-5-6-7-8-9-10-11-12-13-15-19(16,17)18-14-4-2/h3-15H2,1-2H3.
What are the key properties of 1-[chloro(propoxy)phosphoryl]dodecane?
1-[chloro(propoxy)phosphoryl]dodecane has a molecular weight of 310.85 g/mol, XLogP of 6.77, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(propoxy)phosphoryl]dodecane is sourced from PubChem (CID 54374969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).