2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate

C16H28O6 — CID 153320146

IUPAC2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
SMILESC=CC(=O)OCCOCCCCCCOCCOC(=O)CC
InChIInChI=1S/C16H28O6/c1-3-15(17)21-13-11-19-9-7-5-6-8-10-20-12-14-22-16(18)4-2/h3H,1,4-14H2,2H3
InChIKeyUIHZFIAJJWJLSM-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.26
Rot. Bonds15

About 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate

2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate (PubChem CID 153320146) has the molecular formula C16H28O6 and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate.

Molecular Properties

Compound Name2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
PubChem CID153320146
Molecular FormulaC16H28O6
Molecular Weight316.39 g/mol
Exact Mass316.19
IUPAC Name2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
SMILESC=CC(=O)OCCOCCCCCCOCCOC(=O)CC
InChIInChI=1S/C16H28O6/c1-3-15(17)21-13-11-19-9-7-5-6-8-10-20-12-14-22-16(18)4-2/h3H,1,4-14H2,2H3
InChIKeyUIHZFIAJJWJLSM-UHFFFAOYSA-N
XLogP2.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
2-[2,2-bis(2-propanoyloxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl propanoate
CID 89084261
5-hexoxypentyl prop-2-enoate
CID 141336215
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
2-(6-oxohexoxy)ethyl prop-2-enoate
CID 177296509
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate?
The IUPAC name of 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate (CID 153320146) is 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate.
What is the SMILES notation for 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate?
The canonical SMILES for 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate is C=CC(=O)OCCOCCCCCCOCCOC(=O)CC.
What is the InChIKey of 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate?
The InChIKey is UIHZFIAJJWJLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6/c1-3-15(17)21-13-11-19-9-7-5-6-8-10-20-12-14-22-16(18)4-2/h3H,1,4-14H2,2H3.
What are the key properties of 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate?
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate has a molecular weight of 316.39 g/mol, XLogP of 2.26, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate is sourced from PubChem (CID 153320146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).