(E)-1-diethoxyphosphoryl-3-iodooct-2-ene

C12H24IO3P — CID 15880560

IUPAC(E)-1-diethoxyphosphoryl-3-iodooct-2-ene
SMILESCCCCC/C(I)=C\CP(=O)(OCC)OCC
InChIInChI=1S/C12H24IO3P/c1-4-7-8-9-12(13)10-11-17(14,15-5-2)16-6-3/h10H,4-9,11H2,1-3H3/b12-10+
InChIKeyNCWSXEQBOXFPAX-ZRDIBKRKSA-N
MW374.20 g/mol
LogP5.15
Rot. Bonds10

About (E)-1-diethoxyphosphoryl-3-iodooct-2-ene

(E)-1-diethoxyphosphoryl-3-iodooct-2-ene (PubChem CID 15880560) has the molecular formula C12H24IO3P and a molecular weight of 374.20 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-3-iodooct-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-3-iodooct-2-ene
PubChem CID15880560
Molecular FormulaC12H24IO3P
Molecular Weight374.20 g/mol
Exact Mass374.05
IUPAC Name(E)-1-diethoxyphosphoryl-3-iodooct-2-ene
SMILESCCCCC/C(I)=C\CP(=O)(OCC)OCC
InChIInChI=1S/C12H24IO3P/c1-4-7-8-9-12(13)10-11-17(14,15-5-2)16-6-3/h10H,4-9,11H2,1-3H3/b12-10+
InChIKeyNCWSXEQBOXFPAX-ZRDIBKRKSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.20
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 15786804
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
1-Diethoxyphosphorylcycloheptene
CID 12856521
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
(Z)-3-diethoxyphosphorylhex-2-ene
CID 101401799
(Z)-5-diethoxyphosphoryldec-5-ene
CID 101401801

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-3-iodooct-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-3-iodooct-2-ene (CID 15880560) is (E)-1-diethoxyphosphoryl-3-iodooct-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-3-iodooct-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-3-iodooct-2-ene is CCCCC/C(I)=C\CP(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-3-iodooct-2-ene?
The InChIKey is NCWSXEQBOXFPAX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H24IO3P/c1-4-7-8-9-12(13)10-11-17(14,15-5-2)16-6-3/h10H,4-9,11H2,1-3H3/b12-10+.
What are the key properties of (E)-1-diethoxyphosphoryl-3-iodooct-2-ene?
(E)-1-diethoxyphosphoryl-3-iodooct-2-ene has a molecular weight of 374.20 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-3-iodooct-2-ene is sourced from PubChem (CID 15880560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).