bis(3-iodoprop-2-ynyl) carbonate

C7H4I2O3 — CID 12923025

IUPACbis(3-iodoprop-2-ynyl) carbonate
SMILESO=C(OCC#CI)OCC#CI
InChIInChI=1S/C7H4I2O3/c8-3-1-5-11-7(10)12-6-2-4-9/h5-6H2
InChIKeyCFAVBCCMWGTHNP-UHFFFAOYSA-N
MW389.91 g/mol
LogP1.93
Rot. Bonds2

About bis(3-iodoprop-2-ynyl) carbonate

bis(3-iodoprop-2-ynyl) carbonate (PubChem CID 12923025) has the molecular formula C7H4I2O3 and a molecular weight of 389.91 g/mol. Its IUPAC name is bis(3-iodoprop-2-ynyl) carbonate.

Molecular Properties

Compound Namebis(3-iodoprop-2-ynyl) carbonate
PubChem CID12923025
Molecular FormulaC7H4I2O3
Molecular Weight389.91 g/mol
Exact Mass389.82
IUPAC Namebis(3-iodoprop-2-ynyl) carbonate
SMILESO=C(OCC#CI)OCC#CI
InChIInChI=1S/C7H4I2O3/c8-3-1-5-11-7(10)12-6-2-4-9/h5-6H2
InChIKeyCFAVBCCMWGTHNP-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodoethyl 3-iodoprop-2-ynyl carbonate
CID 23469129
2-ethoxyethyl 3-iodoprop-2-ynyl carbonate
CID 23469169
bis(3-iodoprop-2-ynyl) butanedioate
CID 57032584
3-iodoprop-2-ynyl pyridin-4-ylmethyl carbonate
CID 23469081
(2,6-dichlorophenyl) 3-iodoprop-2-ynyl carbonate
CID 23469302
2-(3-iodoprop-2-ynoxy)ethyl acetate
CID 13267732
3-iodoprop-2-ynyl N-butyl-N-methylcarbamate
CID 175437456
3-iodoprop-2-ynyl 2-(2,3,6-trichlorophenyl)acetate
CID 54557816
3-iodoprop-2-ynyl 2-(4-iodophenyl)acetate
CID 54009944
3-iodoprop-2-ynyl 2-ethylhexanoate
CID 23469258
1-iodo-3-(3-iodoprop-2-ynoxymethoxy)prop-1-yne
CID 87993141
4-prop-2-enoyloxybut-2-ynyl prop-2-enoate
CID 11030671

Frequently Asked Questions

What is the IUPAC name of bis(3-iodoprop-2-ynyl) carbonate?
The IUPAC name of bis(3-iodoprop-2-ynyl) carbonate (CID 12923025) is bis(3-iodoprop-2-ynyl) carbonate.
What is the SMILES notation for bis(3-iodoprop-2-ynyl) carbonate?
The canonical SMILES for bis(3-iodoprop-2-ynyl) carbonate is O=C(OCC#CI)OCC#CI.
What is the InChIKey of bis(3-iodoprop-2-ynyl) carbonate?
The InChIKey is CFAVBCCMWGTHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3/c8-3-1-5-11-7(10)12-6-2-4-9/h5-6H2.
What are the key properties of bis(3-iodoprop-2-ynyl) carbonate?
bis(3-iodoprop-2-ynyl) carbonate has a molecular weight of 389.91 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-iodoprop-2-ynyl) carbonate is sourced from PubChem (CID 12923025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).