2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate

C20H28O6 — CID 174380078

IUPAC2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.C=CC(=O)OC
InChIInChI=1S/C16H22O4.C4H6O2/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14;1-3-4(5)6-2/h7,9,15H,1,3-6,8,10-11H2,2H3;3H,1H2,2H3
InChIKeyGJIXQVVDLBODDB-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.95
Rot. Bonds8

About 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate

2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate (PubChem CID 174380078) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Name2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
PubChem CID174380078
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.C=CC(=O)OC
InChIInChI=1S/C16H22O4.C4H6O2/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14;1-3-4(5)6-2/h7,9,15H,1,3-6,8,10-11H2,2H3;3H,1H2,2H3
InChIKeyGJIXQVVDLBODDB-UHFFFAOYSA-N
XLogP3.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

6,6-di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
CID 21330288
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 159760360
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate
CID 54163706
2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
CID 142748718
2,2-di(cyclopenten-1-yloxy)ethyl butanoate
CID 22715421
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
CID 157373430
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
butyl 2-methylprop-2-enoate;2-methylpropane;methyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 174913264
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate (CID 174380078) is 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate is C=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.C=CC(=O)OC.
What is the InChIKey of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The InChIKey is GJIXQVVDLBODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.C4H6O2/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14;1-3-4(5)6-2/h7,9,15H,1,3-6,8,10-11H2,2H3;3H,1H2,2H3.
What are the key properties of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate?
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate has a molecular weight of 364.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 174380078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).