2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate

C16H22O8 — CID 132554863

IUPAC2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
SMILESC#CC(=O)OCCOCCOCCOCCOCCOC(=O)C#C
InChIInChI=1S/C16H22O8/c1-3-15(17)23-13-11-21-9-7-19-5-6-20-8-10-22-12-14-24-16(18)4-2/h1-2H,5-14H2
InChIKeyZVAHKYFHEOKIBY-UHFFFAOYSA-N
MW342.34 g/mol
LogP-0.59
Rot. Bonds15

About 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate

2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate (PubChem CID 132554863) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
PubChem CID132554863
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Name2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
SMILESC#CC(=O)OCCOCCOCCOCCOCCOC(=O)C#C
InChIInChI=1S/C16H22O8/c1-3-15(17)23-13-11-21-9-7-19-5-6-20-8-10-22-12-14-24-16(18)4-2/h1-2H,5-14H2
InChIKeyZVAHKYFHEOKIBY-UHFFFAOYSA-N
XLogP-0.59
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
CID 3761786
6-prop-2-ynoyloxyhexyl prop-2-ynoate
CID 26794654
2-bromoethyl prop-2-ynoate
CID 13117531
4-prop-2-ynoyloxybutanoic acid
CID 138460140
ethyl prop-2-ynoate
CID 12182
iodomethyl prop-2-ynoate
CID 89038974
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
[(3S)-3-methylpentyl] prop-2-ynoate
CID 101053200
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
CID 175090580
8-[hydroxy(8-prop-2-ynoyloxyoctoxy)phosphoryl]oxyoctyl prop-2-ynoate
CID 139925150
N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
CID 89152541
5-(2-methoxyethoxy)pent-1-yn-3-one
CID 102927343

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
The IUPAC name of 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate (CID 132554863) is 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate.
What is the SMILES notation for 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
The canonical SMILES for 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate is C#CC(=O)OCCOCCOCCOCCOCCOC(=O)C#C.
What is the InChIKey of 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
The InChIKey is ZVAHKYFHEOKIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8/c1-3-15(17)23-13-11-21-9-7-19-5-6-20-8-10-22-12-14-24-16(18)4-2/h1-2H,5-14H2.
What are the key properties of 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate has a molecular weight of 342.34 g/mol, XLogP of -0.59, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate is sourced from PubChem (CID 132554863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).