(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene

C10H20ClO3P — CID 23272374

IUPAC(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene
SMILESCCOP(=O)(C/C(Cl)=C(/C)CC)OCC
InChIInChI=1S/C10H20ClO3P/c1-5-9(4)10(11)8-15(12,13-6-2)14-7-3/h5-8H2,1-4H3/b10-9+
InChIKeyBIPFPCFVKPAUQI-MDZDMXLPSA-N
MW254.69 g/mol
LogP4.18
Rot. Bonds7

About (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene

(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene (PubChem CID 23272374) has the molecular formula C10H20ClO3P and a molecular weight of 254.69 g/mol. Its IUPAC name is (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene
PubChem CID23272374
Molecular FormulaC10H20ClO3P
Molecular Weight254.69 g/mol
Exact Mass254.08
IUPAC Name(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene
SMILESCCOP(=O)(C/C(Cl)=C(/C)CC)OCC
InChIInChI=1S/C10H20ClO3P/c1-5-9(4)10(11)8-15(12,13-6-2)14-7-3/h5-8H2,1-4H3/b10-9+
InChIKeyBIPFPCFVKPAUQI-MDZDMXLPSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 134987925
4-Chloro-3-diethylphosphono-5-methyl-1-ethoxy-1,3,6-tetrahydrophosphinine-1-oxide
CID 12030676
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582
2-Chloro-1-diethoxyphosphoryl-3-methylbut-2-ene
CID 12599948
5-Diethoxyphosphoryl-2-methylpent-2-ene
CID 11195358
2-Chloro-5-diethoxyphosphorylpent-2-ene
CID 54275276
(Z)-2-chloro-5-diethoxyphosphorylpent-2-ene
CID 88840383
1-Diethoxyphosphoryl-3-ethyl-2-methylpent-2-ene
CID 152493497
4-chloro-3-dimethoxyphosphoryl-1-ethoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 12030675
2-Chloro-1-dipropoxyphosphoryl-3-methylbut-2-ene
CID 12599950
(1Z)-2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
CID 12644832
4-chloro-1-ethoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 15360139

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene?
The IUPAC name of (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene (CID 23272374) is (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene.
What is the SMILES notation for (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene?
The canonical SMILES for (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene is CCOP(=O)(C/C(Cl)=C(/C)CC)OCC.
What is the InChIKey of (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene?
The InChIKey is BIPFPCFVKPAUQI-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20ClO3P/c1-5-9(4)10(11)8-15(12,13-6-2)14-7-3/h5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene?
(E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene has a molecular weight of 254.69 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-1-diethoxyphosphoryl-3-methylpent-2-ene is sourced from PubChem (CID 23272374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).