(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene

C9H18ClO3P — CID 11345488

IUPAC(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene
SMILESCCOP(=O)(/C=C\CCCCl)OCC
InChIInChI=1S/C9H18ClO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h7,9H,3-6,8H2,1-2H3/b9-7-
InChIKeyWCWBZHBOENTCBG-CLFYSBASSA-N
MW240.67 g/mol
LogP3.79
Rot. Bonds8

About (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene

(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene (PubChem CID 11345488) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene
PubChem CID11345488
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene
SMILESCCOP(=O)(/C=C\CCCCl)OCC
InChIInChI=1S/C9H18ClO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h7,9H,3-6,8H2,1-2H3/b9-7-
InChIKeyWCWBZHBOENTCBG-CLFYSBASSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene?
The IUPAC name of (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene (CID 11345488) is (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene?
The canonical SMILES for (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene is CCOP(=O)(/C=C\CCCCl)OCC.
What is the InChIKey of (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene?
The InChIKey is WCWBZHBOENTCBG-CLFYSBASSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h7,9H,3-6,8H2,1-2H3/b9-7-.
What are the key properties of (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene?
(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene has a molecular weight of 240.67 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-1-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 11345488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).