2-ethoxyethyl 3-iodoprop-2-ynyl carbonate

C8H11IO4 — CID 23469169

IUPAC2-ethoxyethyl 3-iodoprop-2-ynyl carbonate
SMILESCCOCCOC(=O)OCC#CI
InChIInChI=1S/C8H11IO4/c1-2-11-6-7-13-8(10)12-5-3-4-9/h2,5-7H2,1H3
InChIKeyXKCOVEXIDIPRPQ-UHFFFAOYSA-N
MW298.08 g/mol
LogP1.57
Rot. Bonds5

About 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate

2-ethoxyethyl 3-iodoprop-2-ynyl carbonate (PubChem CID 23469169) has the molecular formula C8H11IO4 and a molecular weight of 298.08 g/mol. Its IUPAC name is 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate.

Molecular Properties

Compound Name2-ethoxyethyl 3-iodoprop-2-ynyl carbonate
PubChem CID23469169
Molecular FormulaC8H11IO4
Molecular Weight298.08 g/mol
Exact Mass297.97
IUPAC Name2-ethoxyethyl 3-iodoprop-2-ynyl carbonate
SMILESCCOCCOC(=O)OCC#CI
InChIInChI=1S/C8H11IO4/c1-2-11-6-7-13-8(10)12-5-3-4-9/h2,5-7H2,1H3
InChIKeyXKCOVEXIDIPRPQ-UHFFFAOYSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-iodoprop-2-ynyl) carbonate
CID 12923025
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-(3-iodoprop-2-ynoxy)ethyl acetate
CID 13267732
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
carbonic acid;2-ethoxyethoxycarbonyloxy 2-ethoxyethyl carbonate
CID 159000036
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
bis(3-iodoprop-2-ynyl) butanedioate
CID 57032584
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate?
The IUPAC name of 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate (CID 23469169) is 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate.
What is the SMILES notation for 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate?
The canonical SMILES for 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate is CCOCCOC(=O)OCC#CI.
What is the InChIKey of 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate?
The InChIKey is XKCOVEXIDIPRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO4/c1-2-11-6-7-13-8(10)12-5-3-4-9/h2,5-7H2,1H3.
What are the key properties of 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate?
2-ethoxyethyl 3-iodoprop-2-ynyl carbonate has a molecular weight of 298.08 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-iodoprop-2-ynyl carbonate is sourced from PubChem (CID 23469169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).