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

C9H18ClO3P — CID 10083031

IUPAC(E)-1-chloro-1-diethoxyphosphorylpent-1-ene
SMILESCCC/C=C(/Cl)P(=O)(OCC)OCC
InChIInChI=1S/C9H18ClO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyRDQRTRBFJRLJSH-HJWRWDBZSA-N
MW240.67 g/mol
LogP4.13
Rot. Bonds7

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

(E)-1-chloro-1-diethoxyphosphorylpent-1-ene (PubChem CID 10083031) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is (E)-1-chloro-1-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-1-diethoxyphosphorylpent-1-ene
PubChem CID10083031
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name(E)-1-chloro-1-diethoxyphosphorylpent-1-ene
SMILESCCC/C=C(/Cl)P(=O)(OCC)OCC
InChIInChI=1S/C9H18ClO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyRDQRTRBFJRLJSH-HJWRWDBZSA-N
XLogP4.13
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 ≤ 54.13
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

(E)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 134933959
1-Chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 134987925
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 10850509
(E)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 10923566
4-Diethoxyphosphorylpenta-1,2-diene
CID 12534453
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
1-Chloroocta-2,3-dien-4-yl(diethoxy)phosphane
CID 90982024
(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 134992849
2-Diethoxyphosphorylhexa-2,3-diene
CID 135064822
2-Chloro-3-dipropoxyphosphorylbuta-1,3-diene
CID 12506596

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-1-diethoxyphosphorylpent-1-ene?
The IUPAC name of (E)-1-chloro-1-diethoxyphosphorylpent-1-ene (CID 10083031) is (E)-1-chloro-1-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for (E)-1-chloro-1-diethoxyphosphorylpent-1-ene?
The canonical SMILES for (E)-1-chloro-1-diethoxyphosphorylpent-1-ene is CCC/C=C(/Cl)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-chloro-1-diethoxyphosphorylpent-1-ene?
The InChIKey is RDQRTRBFJRLJSH-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (E)-1-chloro-1-diethoxyphosphorylpent-1-ene?
(E)-1-chloro-1-diethoxyphosphorylpent-1-ene has a molecular weight of 240.67 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-1-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 10083031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).