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

C9H18ClO3P — CID 102017532

IUPAC(E)-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-VQHVLOKHSA-N
MW240.67 g/mol
LogP3.79
Rot. Bonds8

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

(E)-5-chloro-1-diethoxyphosphorylpent-1-ene (PubChem CID 102017532) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is (E)-5-chloro-1-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name(E)-5-chloro-1-diethoxyphosphorylpent-1-ene
PubChem CID102017532
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name(E)-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-VQHVLOKHSA-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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Related Compounds

4-Chloro-2-diethoxyphosphorylbut-1-ene
CID 15751706
(E)-3-chloro-1-diethoxyphosphorylbut-1-ene
CID 14111830
Diallyl (3-chloropropyl)phosphonate
CID 129807792
CID 134944998
CID 134944998
(Z)-5-chloro-1-diethoxyphosphorylpent-1-ene
CID 11345488
4-Chloro-4-diethoxyphosphorylbut-1-ene
CID 11447487
1-Chloro-3-[3-chloropropoxy(prop-1-enyl)phosphoryl]oxypropane
CID 237882
3-[But-3-enoxy(chloro)phosphoryl]-1,5-dichloropentane
CID 58596716
2-Chloropropoxy-oxo-pent-4-enylphosphanium
CID 88760224
2-Chloropropoxy-oxo-pent-4-en-2-ylphosphanium
CID 88760227
2-Chloroethoxy-oxo-pent-4-enylphosphanium
CID 88762016
2-Chloroethoxy-oxo-pent-4-en-2-ylphosphanium
CID 88762017

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-1-diethoxyphosphorylpent-1-ene?
The IUPAC name of (E)-5-chloro-1-diethoxyphosphorylpent-1-ene (CID 102017532) is (E)-5-chloro-1-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for (E)-5-chloro-1-diethoxyphosphorylpent-1-ene?
The canonical SMILES for (E)-5-chloro-1-diethoxyphosphorylpent-1-ene is CCOP(=O)(/C=C/CCCCl)OCC.
What is the InChIKey of (E)-5-chloro-1-diethoxyphosphorylpent-1-ene?
The InChIKey is WCWBZHBOENTCBG-VQHVLOKHSA-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 (E)-5-chloro-1-diethoxyphosphorylpent-1-ene?
(E)-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 (E)-5-chloro-1-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 102017532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).