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

C18H26O9 — CID 3761786

IUPAC2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
SMILESC#CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C#C
InChIInChI=1S/C18H26O9/c1-3-17(19)26-15-13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-16-27-18(20)4-2/h1-2H,5-16H2
InChIKeyFEIMFNNAQAZSSB-UHFFFAOYSA-N
MW386.40 g/mol
LogP-0.58
Rot. Bonds18

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

2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate (PubChem CID 3761786) has the molecular formula C18H26O9 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
PubChem CID3761786
Molecular FormulaC18H26O9
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
SMILESC#CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C#C
InChIInChI=1S/C18H26O9/c1-3-17(19)26-15-13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-16-27-18(20)4-2/h1-2H,5-16H2
InChIKeyFEIMFNNAQAZSSB-UHFFFAOYSA-N
XLogP-0.58
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate
CID 132554863
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-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
The IUPAC name of 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate (CID 3761786) is 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
The canonical SMILES for 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate is C#CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C#C.
What is the InChIKey of 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
The InChIKey is FEIMFNNAQAZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O9/c1-3-17(19)26-15-13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-16-27-18(20)4-2/h1-2H,5-16H2.
What are the key properties of 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate?
2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate has a molecular weight of 386.40 g/mol, XLogP of -0.58, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-prop-2-ynoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-ynoate is sourced from PubChem (CID 3761786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).