1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane

C12H22ClO2P — CID 90982024

IUPAC1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane
SMILESCCCCC(=C=CCCl)P(OCC)OCC
InChIInChI=1S/C12H22ClO2P/c1-4-7-9-12(10-8-11-13)16(14-5-2)15-6-3/h8H,4-7,9,11H2,1-3H3
InChIKeyCWLAYDKVKFBXMJ-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.84
Rot. Bonds9

About 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane

1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane (PubChem CID 90982024) has the molecular formula C12H22ClO2P and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane.

Molecular Properties

Compound Name1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane
PubChem CID90982024
Molecular FormulaC12H22ClO2P
Molecular Weight264.73 g/mol
Exact Mass264.10
IUPAC Name1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane
SMILESCCCCC(=C=CCCl)P(OCC)OCC
InChIInChI=1S/C12H22ClO2P/c1-4-7-9-12(10-8-11-13)16(14-5-2)15-6-3/h8H,4-7,9,11H2,1-3H3
InChIKeyCWLAYDKVKFBXMJ-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 10923566
(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 134992849
(E)-1-chloro-1-diethoxyphosphorylpent-1-ene
CID 10083031
1-Chloro-4-diethoxyphosphorylocta-2,3-diene
CID 11403262
(Z)-1-chloro-1-diethoxyphosphorylpent-1-ene
CID 14922843

Frequently Asked Questions

What is the IUPAC name of 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane?
The IUPAC name of 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane (CID 90982024) is 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane.
What is the SMILES notation for 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane?
The canonical SMILES for 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane is CCCCC(=C=CCCl)P(OCC)OCC.
What is the InChIKey of 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane?
The InChIKey is CWLAYDKVKFBXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClO2P/c1-4-7-9-12(10-8-11-13)16(14-5-2)15-6-3/h8H,4-7,9,11H2,1-3H3.
What are the key properties of 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane?
1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane has a molecular weight of 264.73 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroocta-2,3-dien-4-yl(diethoxy)phosphane is sourced from PubChem (CID 90982024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).