1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane

C11H19I3O2 — CID 88638538

IUPAC1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane
SMILESC=C(C)COC(C)OCC(CI)(CI)CI
InChIInChI=1S/C11H19I3O2/c1-9(2)4-15-10(3)16-8-11(5-12,6-13)7-14/h10H,1,4-8H2,2-3H3
InChIKeyLAVKNAYPRMOTDU-UHFFFAOYSA-N
MW563.98 g/mol
LogP4.23
Rot. Bonds9

About 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane

1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane (PubChem CID 88638538) has the molecular formula C11H19I3O2 and a molecular weight of 563.98 g/mol. Its IUPAC name is 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane.

Molecular Properties

Compound Name1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane
PubChem CID88638538
Molecular FormulaC11H19I3O2
Molecular Weight563.98 g/mol
Exact Mass563.85
IUPAC Name1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane
SMILESC=C(C)COC(C)OCC(CI)(CI)CI
InChIInChI=1S/C11H19I3O2/c1-9(2)4-15-10(3)16-8-11(5-12,6-13)7-14/h10H,1,4-8H2,2-3H3
InChIKeyLAVKNAYPRMOTDU-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.98
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-propoxyethoxy)prop-1-ene
CID 173289997
tetrakis[1-(2-methylprop-2-enoxy)ethyl] silicate
CID 87063889
1,4-bis[1-(2-methylprop-2-enoxy)ethoxy]benzene
CID 70460937
1,3,5-tribromo-2-[1-(2-methylprop-2-enoxy)ethoxy]benzene
CID 70402954
1-(2-methylprop-2-enoxy)ethyl dihydrogen phosphate
CID 87968410
1-(2-methylprop-2-enoxy)ethyl carbonochloridate
CID 88640384
methoxy-[2-(2-methylprop-2-enoxy)propyl]silane
CID 173090276
N,N-dimethylmethanamine;3-(1-fluoroethoxy)-2-methylprop-1-ene
CID 87225169
3-(1-chloroethoxy)-2-methylprop-1-ene;N,N-dimethylmethanamine
CID 87079994
3-(2-methylprop-2-enoxy)pentane
CID 123638560
[2-methyl-3-(2-methylprop-2-enoxy)pentan-2-yl]oxysilane
CID 173096676
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
CID 71583350

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane?
The IUPAC name of 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane (CID 88638538) is 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane.
What is the SMILES notation for 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane?
The canonical SMILES for 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane is C=C(C)COC(C)OCC(CI)(CI)CI.
What is the InChIKey of 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane?
The InChIKey is LAVKNAYPRMOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I3O2/c1-9(2)4-15-10(3)16-8-11(5-12,6-13)7-14/h10H,1,4-8H2,2-3H3.
What are the key properties of 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane?
1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane has a molecular weight of 563.98 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,2-bis(iodomethyl)-3-[1-(2-methylprop-2-enoxy)ethoxy]propane is sourced from PubChem (CID 88638538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).