[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate

C16H26O6 — CID 58610616

IUPAC[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCCC)(COCCC)OC(=O)C=C
InChIInChI=1S/C16H26O6/c1-5-9-19-11-16(12-20-10-6-2,22-15(18)8-4)13-21-14(17)7-3/h7-8H,3-6,9-13H2,1-2H3
InChIKeyIPLOTLIWLOSHLK-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.04
Rot. Bonds13

About [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate

[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate (PubChem CID 58610616) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate
PubChem CID58610616
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCCC)(COCCC)OC(=O)C=C
InChIInChI=1S/C16H26O6/c1-5-9-19-11-16(12-20-10-6-2,22-15(18)8-4)13-21-14(17)7-3/h7-8H,3-6,9-13H2,1-2H3
InChIKeyIPLOTLIWLOSHLK-UHFFFAOYSA-N
XLogP2.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.04
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-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
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
5-hexoxypentyl prop-2-enoate
CID 141336215
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-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
carbamic acid;propyl prop-2-enoate
CID 87571569
3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propyl prop-2-enoate
CID 123594906
6-ethoxyhexyl prop-2-enoate
CID 88877184
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
ethenoxyethene;propyl prop-2-enoate
CID 174744389

Frequently Asked Questions

What is the IUPAC name of [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate?
The IUPAC name of [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate (CID 58610616) is [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate.
What is the SMILES notation for [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate?
The canonical SMILES for [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate is C=CC(=O)OCC(COCCC)(COCCC)OC(=O)C=C.
What is the InChIKey of [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate?
The InChIKey is IPLOTLIWLOSHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-5-9-19-11-16(12-20-10-6-2,22-15(18)8-4)13-21-14(17)7-3/h7-8H,3-6,9-13H2,1-2H3.
What are the key properties of [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate?
[2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate has a molecular weight of 314.38 g/mol, XLogP of 2.04, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-prop-2-enoyloxy-3-propoxy-2-(propoxymethyl)propyl] prop-2-enoate is sourced from PubChem (CID 58610616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).