3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene

C6H8I2O — CID 54403525

IUPAC3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene
SMILESICC=COC=CCI
InChIInChI=1S/C6H8I2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H,3-4H2
InChIKeyVPCBWMPDUWKAGW-UHFFFAOYSA-N
MW349.94 g/mol
LogP2.90
Rot. Bonds4

About 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene

3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene (PubChem CID 54403525) has the molecular formula C6H8I2O and a molecular weight of 349.94 g/mol. Its IUPAC name is 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene.

Molecular Properties

Compound Name3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene
PubChem CID54403525
Molecular FormulaC6H8I2O
Molecular Weight349.94 g/mol
Exact Mass349.87
IUPAC Name3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene
SMILESICC=COC=CCI
InChIInChI=1S/C6H8I2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H,3-4H2
InChIKeyVPCBWMPDUWKAGW-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.94
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(E)-1-bromo-3-iodoprop-1-ene
CID 12046677
7-(7-hydroxyhept-1-enoxy)hept-6-en-1-ol
CID 57238469
12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
CID 173344652
4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
CID 91512187
1-but-1-enoxybut-1-ene;3-prop-2-enoxyprop-1-ene
CID 173130431
ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate
CID 90822028
1-iodo-2-(2-iodoethenoxy)ethene
CID 141049765
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391
6-fluoro-1-(6-fluorohex-1-enoxy)hex-1-ene
CID 91221242
4-iodobut-2-enoxy(trimethyl)silane
CID 85158594
3-iodoprop-1-enyl(dimethyl)silane
CID 154481994
3-iodoprop-1-enyl N-butylcarbamate
CID 54438518

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene?
The IUPAC name of 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene (CID 54403525) is 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene.
What is the SMILES notation for 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene?
The canonical SMILES for 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene is ICC=COC=CCI.
What is the InChIKey of 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene?
The InChIKey is VPCBWMPDUWKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8I2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H,3-4H2.
What are the key properties of 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene?
3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene has a molecular weight of 349.94 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene is sourced from PubChem (CID 54403525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).