(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene

C12H22IO3P — CID 11474216

IUPAC(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
SMILESC=C/C(CCCC)=C(\I)P(=O)(OCC)OCC
InChIInChI=1S/C12H22IO3P/c1-5-9-10-11(6-2)12(13)17(14,15-7-3)16-8-4/h6H,2,5,7-10H2,1,3-4H3/b12-11-
InChIKeyIQUKCIRXKHHEOQ-QXMHVHEDSA-N
MW372.18 g/mol
LogP5.28
Rot. Bonds9

About (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene

(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene (PubChem CID 11474216) has the molecular formula C12H22IO3P and a molecular weight of 372.18 g/mol. Its IUPAC name is (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene.

Molecular Properties

Compound Name(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
PubChem CID11474216
Molecular FormulaC12H22IO3P
Molecular Weight372.18 g/mol
Exact Mass372.04
IUPAC Name(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
SMILESC=C/C(CCCC)=C(\I)P(=O)(OCC)OCC
InChIInChI=1S/C12H22IO3P/c1-5-9-10-11(6-2)12(13)17(14,15-7-3)16-8-4/h6H,2,5,7-10H2,1,3-4H3/b12-11-
InChIKeyIQUKCIRXKHHEOQ-QXMHVHEDSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.18
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
1-diethoxyphosphoryl-N-methoxypentan-1-imine
CID 131851037
(E)-5-ethenyl-6-prop-2-enyldec-5-ene
CID 101214127
2-diethoxyphosphorylpent-1-ene
CID 11844671
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 11090556
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
CID 11057373
2-diethoxyphosphorylprop-2-enal
CID 10888762
bis(diethoxyphosphoryl)methanimine
CID 87803281

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene?
The IUPAC name of (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene (CID 11474216) is (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene.
What is the SMILES notation for (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene?
The canonical SMILES for (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene is C=C/C(CCCC)=C(\I)P(=O)(OCC)OCC.
What is the InChIKey of (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene?
The InChIKey is IQUKCIRXKHHEOQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22IO3P/c1-5-9-10-11(6-2)12(13)17(14,15-7-3)16-8-4/h6H,2,5,7-10H2,1,3-4H3/b12-11-.
What are the key properties of (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene?
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene has a molecular weight of 372.18 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene is sourced from PubChem (CID 11474216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).