2-chloro-5-diethoxyphosphorylpent-2-ene

C9H18ClO3P — CID 54275276

IUPAC2-chloro-5-diethoxyphosphorylpent-2-ene
SMILESCCOP(=O)(CCC=C(C)Cl)OCC
InChIInChI=1S/C9H18ClO3P/c1-4-12-14(11,13-5-2)8-6-7-9(3)10/h7H,4-6,8H2,1-3H3
InChIKeyRMYYAFJPBBPSEA-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.79
Rot. Bonds7

About 2-chloro-5-diethoxyphosphorylpent-2-ene

2-chloro-5-diethoxyphosphorylpent-2-ene (PubChem CID 54275276) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-chloro-5-diethoxyphosphorylpent-2-ene.

Molecular Properties

Compound Name2-chloro-5-diethoxyphosphorylpent-2-ene
PubChem CID54275276
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name2-chloro-5-diethoxyphosphorylpent-2-ene
SMILESCCOP(=O)(CCC=C(C)Cl)OCC
InChIInChI=1S/C9H18ClO3P/c1-4-12-14(11,13-5-2)8-6-7-9(3)10/h7H,4-6,8H2,1-3H3
InChIKeyRMYYAFJPBBPSEA-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-diethoxyphosphorylpent-2-ene?
The IUPAC name of 2-chloro-5-diethoxyphosphorylpent-2-ene (CID 54275276) is 2-chloro-5-diethoxyphosphorylpent-2-ene.
What is the SMILES notation for 2-chloro-5-diethoxyphosphorylpent-2-ene?
The canonical SMILES for 2-chloro-5-diethoxyphosphorylpent-2-ene is CCOP(=O)(CCC=C(C)Cl)OCC.
What is the InChIKey of 2-chloro-5-diethoxyphosphorylpent-2-ene?
The InChIKey is RMYYAFJPBBPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-4-12-14(11,13-5-2)8-6-7-9(3)10/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-chloro-5-diethoxyphosphorylpent-2-ene?
2-chloro-5-diethoxyphosphorylpent-2-ene has a molecular weight of 240.67 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-diethoxyphosphorylpent-2-ene is sourced from PubChem (CID 54275276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).