4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate

C21H34O8 — CID 158042491

IUPAC4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOCC1CO1.C=C(C)C(=O)OCCCOCC1CO1
InChIInChI=1S/C11H18O4.C10H16O4/c1-9(2)11(12)14-6-4-3-5-13-7-10-8-15-10;1-8(2)10(11)13-5-3-4-12-6-9-7-14-9/h10H,1,3-8H2,2H3;9H,1,3-7H2,2H3
InChIKeyFINDPQSRCPUGQT-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.21
Rot. Bonds15

About 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate

4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate (PubChem CID 158042491) has the molecular formula C21H34O8 and a molecular weight of 414.50 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
PubChem CID158042491
Molecular FormulaC21H34O8
Molecular Weight414.50 g/mol
Exact Mass414.23
IUPAC Name4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOCC1CO1.C=C(C)C(=O)OCCCOCC1CO1
InChIInChI=1S/C11H18O4.C10H16O4/c1-9(2)11(12)14-6-4-3-5-13-7-10-8-15-10;1-8(2)10(11)13-5-3-4-12-6-9-7-14-9/h10H,1,3-8H2,2H3;9H,1,3-7H2,2H3
InChIKeyFINDPQSRCPUGQT-UHFFFAOYSA-N
XLogP2.21
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
CID 175369896
4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173321049
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
3-[2-(oxiran-2-yl)propoxy]propyl 2-methylprop-2-enoate
CID 141227819

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate (CID 158042491) is 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOCC1CO1.C=C(C)C(=O)OCCCOCC1CO1.
What is the InChIKey of 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate?
The InChIKey is FINDPQSRCPUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4.C10H16O4/c1-9(2)11(12)14-6-4-3-5-13-7-10-8-15-10;1-8(2)10(11)13-5-3-4-12-6-9-7-14-9/h10H,1,3-8H2,2H3;9H,1,3-7H2,2H3.
What are the key properties of 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate?
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate has a molecular weight of 414.50 g/mol, XLogP of 2.21, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 158042491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).