(E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene

C11H22IO3P — CID 10498705

IUPAC(E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene
SMILESCCCC/C(C)=C(/I)P(=O)(OCC)OCC
InChIInChI=1S/C11H22IO3P/c1-5-8-9-10(4)11(12)16(13,14-6-2)15-7-3/h5-9H2,1-4H3/b11-10-
InChIKeyMMLAQEXMAASEBO-KHPPLWFESA-N
MW360.17 g/mol
LogP5.11
Rot. Bonds8

About (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene

(E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene (PubChem CID 10498705) has the molecular formula C11H22IO3P and a molecular weight of 360.17 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene
PubChem CID10498705
Molecular FormulaC11H22IO3P
Molecular Weight360.17 g/mol
Exact Mass360.04
IUPAC Name(E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene
SMILESCCCC/C(C)=C(/I)P(=O)(OCC)OCC
InChIInChI=1S/C11H22IO3P/c1-5-8-9-10(4)11(12)16(13,14-6-2)15-7-3/h5-9H2,1-4H3/b11-10-
InChIKeyMMLAQEXMAASEBO-KHPPLWFESA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.17
LogP ≤ 55.11
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'}

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Related Compounds

(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]-1-iodoheptane
CID 11260538
(3E)-3-[diethoxyphosphoryl(iodo)methylidene]heptane
CID 10499626
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
Ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
CID 25216260
Copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
CID 134889895
Copper(1+);3-(diethoxyphosphorylmethylidene)heptane
CID 134890014
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216
(E)-1-diethoxyphosphoryl-1-iodohex-1-ene
CID 10871690
(E)-1-diethoxyphosphoryl-1-iodohept-1-ene
CID 10970421
(3E)-3-(diethoxyphosphorylmethylidene)-1-iodoheptane
CID 11326285

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene (CID 10498705) is (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene is CCCC/C(C)=C(/I)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene?
The InChIKey is MMLAQEXMAASEBO-KHPPLWFESA-N. The full InChI is InChI=1S/C11H22IO3P/c1-5-8-9-10(4)11(12)16(13,14-6-2)15-7-3/h5-9H2,1-4H3/b11-10-.
What are the key properties of (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene?
(E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene has a molecular weight of 360.17 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-iodo-2-methylhex-1-ene is sourced from PubChem (CID 10498705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).