2-(6-oxohexoxy)ethyl prop-2-enoate

C11H18O4 — CID 177296509

IUPAC2-(6-oxohexoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCCCC=O
InChIInChI=1S/C11H18O4/c1-2-11(13)15-10-9-14-8-6-4-3-5-7-12/h2,7H,1,3-6,8-10H2
InChIKeyCTTZYUAWTPXHAJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.49
Rot. Bonds10

About 2-(6-oxohexoxy)ethyl prop-2-enoate

2-(6-oxohexoxy)ethyl prop-2-enoate (PubChem CID 177296509) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(6-oxohexoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(6-oxohexoxy)ethyl prop-2-enoate
PubChem CID177296509
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(6-oxohexoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCCCC=O
InChIInChI=1S/C11H18O4/c1-2-11(13)15-10-9-14-8-6-4-3-5-7-12/h2,7H,1,3-6,8-10H2
InChIKeyCTTZYUAWTPXHAJ-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
CID 153320146
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate
CID 161184072
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxohexoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(6-oxohexoxy)ethyl prop-2-enoate (CID 177296509) is 2-(6-oxohexoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(6-oxohexoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(6-oxohexoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCCCCCC=O.
What is the InChIKey of 2-(6-oxohexoxy)ethyl prop-2-enoate?
The InChIKey is CTTZYUAWTPXHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-11(13)15-10-9-14-8-6-4-3-5-7-12/h2,7H,1,3-6,8-10H2.
What are the key properties of 2-(6-oxohexoxy)ethyl prop-2-enoate?
2-(6-oxohexoxy)ethyl prop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxohexoxy)ethyl prop-2-enoate is sourced from PubChem (CID 177296509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).