(E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene

C10H20ClO3P — CID 14111810

IUPAC(E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene
SMILESCCOP(=O)(C/C(C)=C(\C)CCl)OCC
InChIInChI=1S/C10H20ClO3P/c1-5-13-15(12,14-6-2)8-10(4)9(3)7-11/h5-8H2,1-4H3/b10-9+
InChIKeyCYJZTTHSCRHHHR-MDZDMXLPSA-N
MW254.69 g/mol
LogP3.83
Rot. Bonds7

About (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene

(E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene (PubChem CID 14111810) has the molecular formula C10H20ClO3P and a molecular weight of 254.69 g/mol. Its IUPAC name is (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene
PubChem CID14111810
Molecular FormulaC10H20ClO3P
Molecular Weight254.69 g/mol
Exact Mass254.08
IUPAC Name(E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene
SMILESCCOP(=O)(C/C(C)=C(\C)CCl)OCC
InChIInChI=1S/C10H20ClO3P/c1-5-13-15(12,14-6-2)8-10(4)9(3)7-11/h5-8H2,1-4H3/b10-9+
InChIKeyCYJZTTHSCRHHHR-MDZDMXLPSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-1-diethoxyphosphoryl-3-methylbuta-1,2-diene
CID 11020980
(4-Chloro-3-methylbuta-1,2-dienyl)-diethoxyphosphane
CID 91313940
2-Chloro-1-diethoxyphosphoryl-3-methylbut-2-ene
CID 12599948
Diethyl 3-chloro-2-methylpropylphosphonate
CID 20337215
1-Chloro-2-methylene propane-3-phosphonic acid diethyl ester
CID 54311690
1-(2-Chloroethoxy)-3,4-dimethylphospholen-1-one
CID 4084814
4-Chloro-1-diethoxyphosphoryl-3-methylbuta-1,2-diene
CID 11207164
1-Chloro-4-diethoxyphosphoryl-2-methylhepta-2,3-diene
CID 11403261
1-Chloro-4-diethoxyphosphoryl-2-methylocta-2,3-diene
CID 12007355
2-Chloro-1-dipropoxyphosphoryl-3-methylbut-2-ene
CID 12599950
2-Chloro-1-di(propan-2-yloxy)phosphoryl-3-methylbut-2-ene
CID 12599951
(E)-4-chloro-1-diethoxyphosphoryl-2-methylbut-2-ene
CID 13703912

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene?
The IUPAC name of (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene (CID 14111810) is (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene.
What is the SMILES notation for (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene?
The canonical SMILES for (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene is CCOP(=O)(C/C(C)=C(\C)CCl)OCC.
What is the InChIKey of (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene?
The InChIKey is CYJZTTHSCRHHHR-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20ClO3P/c1-5-13-15(12,14-6-2)8-10(4)9(3)7-11/h5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene?
(E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene has a molecular weight of 254.69 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-4-diethoxyphosphoryl-2,3-dimethylbut-2-ene is sourced from PubChem (CID 14111810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).