1-(2-iodo-1-prop-2-enoxyethoxy)propane

C8H15IO2 — CID 10492234

IUPAC1-(2-iodo-1-prop-2-enoxyethoxy)propane
SMILESC=CCOC(CI)OCCC
InChIInChI=1S/C8H15IO2/c1-3-5-10-8(7-9)11-6-4-2/h3,8H,1,4-7H2,2H3
InChIKeyMIELJUCNCJCNBV-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.38
Rot. Bonds7

About 1-(2-iodo-1-prop-2-enoxyethoxy)propane

1-(2-iodo-1-prop-2-enoxyethoxy)propane (PubChem CID 10492234) has the molecular formula C8H15IO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is 1-(2-iodo-1-prop-2-enoxyethoxy)propane.

Molecular Properties

Compound Name1-(2-iodo-1-prop-2-enoxyethoxy)propane
PubChem CID10492234
Molecular FormulaC8H15IO2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name1-(2-iodo-1-prop-2-enoxyethoxy)propane
SMILESC=CCOC(CI)OCCC
InChIInChI=1S/C8H15IO2/c1-3-5-10-8(7-9)11-6-4-2/h3,8H,1,4-7H2,2H3
InChIKeyMIELJUCNCJCNBV-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.38
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

1,1-bis(prop-2-enoxy)nonane
CID 123908723
1-methoxy-1-propoxypropane
CID 19963975
3-prop-2-enoxy-1-propoxybutane
CID 173418975
triethyl-[2-(1-prop-2-enoxydecoxy)ethoxy]silane
CID 23651623
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-prop-2-enoxypropane
CID 157267338
3-iodo-3-propoxyprop-1-yne
CID 139632124
1-prop-2-enoxypropyl acetate
CID 142726831
1-methoxy-1-propoxyhex-3-ene
CID 141349600
3-propoxynonadec-1-ene
CID 87204997
1-methoxy-1,3-dipropoxypropane
CID 54152160
2-methyl-4,4-dipropoxybutanal
CID 163758493

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-1-prop-2-enoxyethoxy)propane?
The IUPAC name of 1-(2-iodo-1-prop-2-enoxyethoxy)propane (CID 10492234) is 1-(2-iodo-1-prop-2-enoxyethoxy)propane.
What is the SMILES notation for 1-(2-iodo-1-prop-2-enoxyethoxy)propane?
The canonical SMILES for 1-(2-iodo-1-prop-2-enoxyethoxy)propane is C=CCOC(CI)OCCC.
What is the InChIKey of 1-(2-iodo-1-prop-2-enoxyethoxy)propane?
The InChIKey is MIELJUCNCJCNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO2/c1-3-5-10-8(7-9)11-6-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-(2-iodo-1-prop-2-enoxyethoxy)propane?
1-(2-iodo-1-prop-2-enoxyethoxy)propane has a molecular weight of 270.11 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-1-prop-2-enoxyethoxy)propane is sourced from PubChem (CID 10492234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).