(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene

C12H24ClO3P — CID 10850509

IUPAC(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene
SMILESCCCCCC/C=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C12H24ClO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h11H,4-10H2,1-3H3/b12-11+
InChIKeyAJDGPNRFVUGHOP-VAWYXSNFSA-N
MW282.75 g/mol
LogP5.30
Rot. Bonds10

About (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene

(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene (PubChem CID 10850509) has the molecular formula C12H24ClO3P and a molecular weight of 282.75 g/mol. Its IUPAC name is (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene
PubChem CID10850509
Molecular FormulaC12H24ClO3P
Molecular Weight282.75 g/mol
Exact Mass282.12
IUPAC Name(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene
SMILESCCCCCC/C=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C12H24ClO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h11H,4-10H2,1-3H3/b12-11+
InChIKeyAJDGPNRFVUGHOP-VAWYXSNFSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.75
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(E)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 134933959
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
Diethyl oct-1-en-1-ylphosphonate
CID 54302676
(E)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 10923566
ethoxy-[(E)-oct-1-enyl]-oxophosphanium
CID 11298657
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 134992849
[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium
CID 134996460
(Z)-1-diethoxyphosphoryl-1-dimethoxyphosphoryloct-1-ene
CID 176427402

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene?
The IUPAC name of (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene (CID 10850509) is (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene.
What is the SMILES notation for (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene?
The canonical SMILES for (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene is CCCCCC/C=C(\Cl)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene?
The InChIKey is AJDGPNRFVUGHOP-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H24ClO3P/c1-4-7-8-9-10-11-12(13)17(14,15-5-2)16-6-3/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene?
(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene has a molecular weight of 282.75 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1-diethoxyphosphoryloct-1-ene is sourced from PubChem (CID 10850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).