1-[chloro(propoxy)phosphoryl]hexane

C9H20ClO2P — CID 20555775

IUPAC1-[chloro(propoxy)phosphoryl]hexane
SMILESCCCCCCP(=O)(Cl)OCCC
InChIInChI=1S/C9H20ClO2P/c1-3-5-6-7-9-13(10,11)12-8-4-2/h3-9H2,1-2H3
InChIKeyBWINPBWYRATNPX-UHFFFAOYSA-N
MW226.68 g/mol
LogP4.43
Rot. Bonds8

About 1-[chloro(propoxy)phosphoryl]hexane

1-[chloro(propoxy)phosphoryl]hexane (PubChem CID 20555775) has the molecular formula C9H20ClO2P and a molecular weight of 226.68 g/mol. Its IUPAC name is 1-[chloro(propoxy)phosphoryl]hexane.

Molecular Properties

Compound Name1-[chloro(propoxy)phosphoryl]hexane
PubChem CID20555775
Molecular FormulaC9H20ClO2P
Molecular Weight226.68 g/mol
Exact Mass226.09
IUPAC Name1-[chloro(propoxy)phosphoryl]hexane
SMILESCCCCCCP(=O)(Cl)OCCC
InChIInChI=1S/C9H20ClO2P/c1-3-5-6-7-9-13(10,11)12-8-4-2/h3-9H2,1-2H3
InChIKeyBWINPBWYRATNPX-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 54.43
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]dodecane
CID 54374969
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]hexane?
The IUPAC name of 1-[chloro(propoxy)phosphoryl]hexane (CID 20555775) is 1-[chloro(propoxy)phosphoryl]hexane.
What is the SMILES notation for 1-[chloro(propoxy)phosphoryl]hexane?
The canonical SMILES for 1-[chloro(propoxy)phosphoryl]hexane is CCCCCCP(=O)(Cl)OCCC.
What is the InChIKey of 1-[chloro(propoxy)phosphoryl]hexane?
The InChIKey is BWINPBWYRATNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClO2P/c1-3-5-6-7-9-13(10,11)12-8-4-2/h3-9H2,1-2H3.
What are the key properties of 1-[chloro(propoxy)phosphoryl]hexane?
1-[chloro(propoxy)phosphoryl]hexane has a molecular weight of 226.68 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(propoxy)phosphoryl]hexane is sourced from PubChem (CID 20555775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).