1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene

C9H17Cl2O3P — CID 23261074

IUPAC1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESCC(OP(=O)(OC(C)C)C(C)C)=C(Cl)Cl
InChIInChI=1S/C9H17Cl2O3P/c1-6(2)13-15(12,7(3)4)14-8(5)9(10)11/h6-7H,1-5H3
InChIKeyFCOIXFYRZGSVKW-UHFFFAOYSA-N
MW275.11 g/mol
LogP4.70
Rot. Bonds5

About 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene

1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene (PubChem CID 23261074) has the molecular formula C9H17Cl2O3P and a molecular weight of 275.11 g/mol. Its IUPAC name is 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene
PubChem CID23261074
Molecular FormulaC9H17Cl2O3P
Molecular Weight275.11 g/mol
Exact Mass274.03
IUPAC Name1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESCC(OP(=O)(OC(C)C)C(C)C)=C(Cl)Cl
InChIInChI=1S/C9H17Cl2O3P/c1-6(2)13-15(12,7(3)4)14-8(5)9(10)11/h6-7H,1-5H3
InChIKeyFCOIXFYRZGSVKW-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[1-Chloroethenyl(propan-2-yloxy)phosphoryl]oxypropane
CID 85941489
Cwjkfjkzwdkigt-uhfffaoysa-
CID 13377810
Dibutan-2-yl 2,2-dichloroethenyl phosphate
CID 20396735
2-[2,2-Dichloroethenoxy(prop-2-enyl)phosphoryl]oxypropane
CID 53846658
1,1-Dichloro-1-di(propan-2-yloxy)phosphorylpropane
CID 10956789
2-Chloro-1-di(propan-2-yloxy)phosphoryl-3-methylbut-2-ene
CID 12599951
1-[Butyl(2,2-dichloroethenoxy)phosphoryl]butane
CID 12651394
1,1-Dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene
CID 23260913
2-[2,2-Dichloroethenoxy(methyl)phosphoryl]oxypropane
CID 23260920
1,1-Dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium
CID 23262847
(E)-1-chloro-1-di(propan-2-yloxy)phosphorylprop-1-en-2-olate
CID 23416640
Dibutyl (2,2-dichloroethenyl)phosphonate
CID 71364622

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene (CID 23261074) is 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene is CC(OP(=O)(OC(C)C)C(C)C)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene?
The InChIKey is FCOIXFYRZGSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2O3P/c1-6(2)13-15(12,7(3)4)14-8(5)9(10)11/h6-7H,1-5H3.
What are the key properties of 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene?
1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene has a molecular weight of 275.11 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 23261074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).