2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate

C14H18O8 — CID 71403471

IUPAC2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
SMILESC#CCOC(=O)OCCOCCOCCOC(=O)OCC#C
InChIInChI=1S/C14H18O8/c1-3-5-19-13(15)21-11-9-17-7-8-18-10-12-22-14(16)20-6-4-2/h1-2H,5-12H2
InChIKeyRWXBVUCTQKZHBR-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.59
Rot. Bonds11

About 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate

2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate (PubChem CID 71403471) has the molecular formula C14H18O8 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate.

Molecular Properties

Compound Name2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
PubChem CID71403471
Molecular FormulaC14H18O8
Molecular Weight314.29 g/mol
Exact Mass314.10
IUPAC Name2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
SMILESC#CCOC(=O)OCCOCCOCCOC(=O)OCC#C
InChIInChI=1S/C14H18O8/c1-3-5-19-13(15)21-11-9-17-7-8-18-10-12-22-14(16)20-6-4-2/h1-2H,5-12H2
InChIKeyRWXBVUCTQKZHBR-UHFFFAOYSA-N
XLogP0.59
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate?
The IUPAC name of 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate (CID 71403471) is 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate.
What is the SMILES notation for 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate?
The canonical SMILES for 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate is C#CCOC(=O)OCCOCCOCCOC(=O)OCC#C.
What is the InChIKey of 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate?
The InChIKey is RWXBVUCTQKZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O8/c1-3-5-19-13(15)21-11-9-17-7-8-18-10-12-22-14(16)20-6-4-2/h1-2H,5-12H2.
What are the key properties of 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate?
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate has a molecular weight of 314.29 g/mol, XLogP of 0.59, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate is sourced from PubChem (CID 71403471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).