4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate

C14H22O6 — CID 58944381

IUPAC4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOCCCCOCOC(=O)C(=C)C
InChIInChI=1S/C14H22O6/c1-11(2)13(15)19-9-17-7-5-6-8-18-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyQAUWQJZHHYZMHT-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.95
Rot. Bonds11

About 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate

4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate (PubChem CID 58944381) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate
PubChem CID58944381
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOCCCCOCOC(=O)C(=C)C
InChIInChI=1S/C14H22O6/c1-11(2)13(15)19-9-17-7-5-6-8-18-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyQAUWQJZHHYZMHT-UHFFFAOYSA-N
XLogP1.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
2-[dimethoxy(methyl)silyl]ethoxymethyl 2-methylprop-2-enoate
CID 171586969
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
5-(2-oxopyrrolidin-1-yl)pentoxymethyl 2-methylprop-2-enoate
CID 139715946
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate (CID 58944381) is 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOCCCCOCOC(=O)C(=C)C.
What is the InChIKey of 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate?
The InChIKey is QAUWQJZHHYZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-11(2)13(15)19-9-17-7-5-6-8-18-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3.
What are the key properties of 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate?
4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate has a molecular weight of 286.32 g/mol, XLogP of 1.95, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58944381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).