1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane

C10H19Cl2O2P — CID 12651394

IUPAC1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane
SMILESCCCCP(=O)(CCCC)OC=C(Cl)Cl
InChIInChI=1S/C10H19Cl2O2P/c1-3-5-7-15(13,8-6-4-2)14-9-10(11)12/h9H,3-8H2,1-2H3
InChIKeyNJLMHLMEGJNCLN-UHFFFAOYSA-N
MW273.14 g/mol
LogP5.16
Rot. Bonds8

About 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane

1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane (PubChem CID 12651394) has the molecular formula C10H19Cl2O2P and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane.

Molecular Properties

Compound Name1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane
PubChem CID12651394
Molecular FormulaC10H19Cl2O2P
Molecular Weight273.14 g/mol
Exact Mass272.05
IUPAC Name1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane
SMILESCCCCP(=O)(CCCC)OC=C(Cl)Cl
InChIInChI=1S/C10H19Cl2O2P/c1-3-5-7-15(13,8-6-4-2)14-9-10(11)12/h9H,3-8H2,1-2H3
InChIKeyNJLMHLMEGJNCLN-UHFFFAOYSA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.14
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphoric acid, dibutyl 2,2-dichloroethenyl ester
CID 87795
Phosphoric acid, 2,2-dichloroethenyl dipropyl ester
CID 120168
Diethyl (2,2-dichloroethenyl)phosphonate
CID 12525122
2,2-Dichlorovinyl-dipentylphosphinate
CID 129718134
2,2-Dichlorovinyl methyl ethylphosphonate
CID 129807987
2,2-Dichlorovinyl diethylphosphinate
CID 129878832
1-[Butyl(trichloromethoxy)phosphoryl]oxybutane
CID 57062544
Triisopropyldichlorovinyloxyphosphonium chloride
CID 86732908
1,1-Dichloro-2-[ethoxy(ethyl)phosphoryl]oxyethene
CID 12583309
2-[2,2-Dichloroethenoxy(ethoxy)phosphoryl]propane
CID 14441041
1,1-Dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene
CID 23261074
Dibutyl (2,2-dichloroethenyl)phosphonate
CID 71364622

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane?
The IUPAC name of 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane (CID 12651394) is 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane.
What is the SMILES notation for 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane?
The canonical SMILES for 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane is CCCCP(=O)(CCCC)OC=C(Cl)Cl.
What is the InChIKey of 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane?
The InChIKey is NJLMHLMEGJNCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2O2P/c1-3-5-7-15(13,8-6-4-2)14-9-10(11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane?
1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane has a molecular weight of 273.14 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(2,2-dichloroethenoxy)phosphoryl]butane is sourced from PubChem (CID 12651394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).