diethoxy-[(E)-hex-2-enyl]phosphane

C10H21O2P — CID 141473960

IUPACdiethoxy-[(E)-hex-2-enyl]phosphane
SMILESCCC/C=C/CP(OCC)OCC
InChIInChI=1S/C10H21O2P/c1-4-7-8-9-10-13(11-5-2)12-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKeyDMHUKHKXCLBZIJ-CMDGGOBGSA-N
MW204.25 g/mol
LogP3.73
Rot. Bonds8

About diethoxy-[(E)-hex-2-enyl]phosphane

diethoxy-[(E)-hex-2-enyl]phosphane (PubChem CID 141473960) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is diethoxy-[(E)-hex-2-enyl]phosphane.

Molecular Properties

Compound Namediethoxy-[(E)-hex-2-enyl]phosphane
PubChem CID141473960
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Namediethoxy-[(E)-hex-2-enyl]phosphane
SMILESCCC/C=C/CP(OCC)OCC
InChIInChI=1S/C10H21O2P/c1-4-7-8-9-10-13(11-5-2)12-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKeyDMHUKHKXCLBZIJ-CMDGGOBGSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
CID 10775488
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11172316
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
(E)-3-diethoxyphosphorylpent-2-ene
CID 13613015
(E)-3-diethoxyphosphorylhex-3-ene
CID 15646571
Diisopropyl 2-cyclopenten-1-ylphosphonate
CID 15811703

Frequently Asked Questions

What is the IUPAC name of diethoxy-[(E)-hex-2-enyl]phosphane?
The IUPAC name of diethoxy-[(E)-hex-2-enyl]phosphane (CID 141473960) is diethoxy-[(E)-hex-2-enyl]phosphane.
What is the SMILES notation for diethoxy-[(E)-hex-2-enyl]phosphane?
The canonical SMILES for diethoxy-[(E)-hex-2-enyl]phosphane is CCC/C=C/CP(OCC)OCC.
What is the InChIKey of diethoxy-[(E)-hex-2-enyl]phosphane?
The InChIKey is DMHUKHKXCLBZIJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H21O2P/c1-4-7-8-9-10-13(11-5-2)12-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+.
What are the key properties of diethoxy-[(E)-hex-2-enyl]phosphane?
diethoxy-[(E)-hex-2-enyl]phosphane has a molecular weight of 204.25 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(E)-hex-2-enyl]phosphane is sourced from PubChem (CID 141473960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).