4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate

C20H34O6 — CID 101360150

IUPAC4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOCCCCOCCCCOC(=O)C(=C)C
InChIInChI=1S/C20H34O6/c1-17(2)19(21)25-15-9-7-13-23-11-5-6-12-24-14-8-10-16-26-20(22)18(3)4/h1,3,5-16H2,2,4H3
InChIKeyVPBZIDNHWHQVDF-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.60
Rot. Bonds17

About 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate

4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate (PubChem CID 101360150) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
PubChem CID101360150
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOCCCCOCCCCOC(=O)C(=C)C
InChIInChI=1S/C20H34O6/c1-17(2)19(21)25-15-9-7-13-23-11-5-6-12-24-14-8-10-16-26-20(22)18(3)4/h1,3,5-16H2,2,4H3
InChIKeyVPBZIDNHWHQVDF-UHFFFAOYSA-N
XLogP3.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.60
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

3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl 2-methylprop-2-enoate
CID 87263491
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
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
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate (CID 101360150) is 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOCCCCOCCCCOC(=O)C(=C)C.
What is the InChIKey of 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate?
The InChIKey is VPBZIDNHWHQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6/c1-17(2)19(21)25-15-9-7-13-23-11-5-6-12-24-14-8-10-16-26-20(22)18(3)4/h1,3,5-16H2,2,4H3.
What are the key properties of 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate?
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate has a molecular weight of 370.49 g/mol, XLogP of 3.60, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 101360150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).