(E)-1-diethoxyphosphorylhept-2-ene

C11H23O3P — CID 11287746

IUPAC(E)-1-diethoxyphosphorylhept-2-ene
SMILESCCCC/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C11H23O3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h9-10H,4-8,11H2,1-3H3/b10-9+
InChIKeyYKQYHVXXSAAOBQ-MDZDMXLPSA-N
MW234.28 g/mol
LogP4.00
Rot. Bonds9

About (E)-1-diethoxyphosphorylhept-2-ene

(E)-1-diethoxyphosphorylhept-2-ene (PubChem CID 11287746) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylhept-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylhept-2-ene
PubChem CID11287746
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(E)-1-diethoxyphosphorylhept-2-ene
SMILESCCCC/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C11H23O3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h9-10H,4-8,11H2,1-3H3/b10-9+
InChIKeyYKQYHVXXSAAOBQ-MDZDMXLPSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
Diethyl 3-butenylphosphonate
CID 10997850
3-Phospholene, 1-ethoxy-3-methyl-, 1-oxide
CID 205862
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
5-[Fluoro(propan-2-yloxy)phosphoryl]pent-2-ene
CID 129695322
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphorylhept-2-ene?
The IUPAC name of (E)-1-diethoxyphosphorylhept-2-ene (CID 11287746) is (E)-1-diethoxyphosphorylhept-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylhept-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylhept-2-ene is CCCC/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphorylhept-2-ene?
The InChIKey is YKQYHVXXSAAOBQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23O3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h9-10H,4-8,11H2,1-3H3/b10-9+.
What are the key properties of (E)-1-diethoxyphosphorylhept-2-ene?
(E)-1-diethoxyphosphorylhept-2-ene has a molecular weight of 234.28 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylhept-2-ene is sourced from PubChem (CID 11287746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).