(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene

C11H23O3P — CID 13165582

IUPAC(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
SMILESCCOP(=O)(CC/C=C(/C)CC)OCC
InChIInChI=1S/C11H23O3P/c1-5-11(4)9-8-10-15(12,13-6-2)14-7-3/h9H,5-8,10H2,1-4H3/b11-9-
InChIKeyOFOGTWASLIHCTQ-LUAWRHEFSA-N
MW234.28 g/mol
LogP4.00
Rot. Bonds8

About (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene

(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene (PubChem CID 13165582) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
PubChem CID13165582
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
SMILESCCOP(=O)(CC/C=C(/C)CC)OCC
InChIInChI=1S/C11H23O3P/c1-5-11(4)9-8-10-15(12,13-6-2)14-7-3/h9H,5-8,10H2,1-4H3/b11-9-
InChIKeyOFOGTWASLIHCTQ-LUAWRHEFSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene (CID 13165582) is (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene is CCOP(=O)(CC/C=C(/C)CC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene?
The InChIKey is OFOGTWASLIHCTQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H23O3P/c1-5-11(4)9-8-10-15(12,13-6-2)14-7-3/h9H,5-8,10H2,1-4H3/b11-9-.
What are the key properties of (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene?
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene has a molecular weight of 234.28 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-4-methylhex-3-ene is sourced from PubChem (CID 13165582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).