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

C16H22O4 — CID 18935929

IUPAC2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C16H22O4/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14/h7,9,15H,1,3-6,8,10-11H2,2H3
InChIKeyJMIZWXDKTUGEES-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.60
Rot. Bonds7

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

2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 18935929) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID18935929
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C16H22O4/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14/h7,9,15H,1,3-6,8,10-11H2,2H3
InChIKeyJMIZWXDKTUGEES-UHFFFAOYSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate (CID 18935929) is 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is JMIZWXDKTUGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14/h7,9,15H,1,3-6,8,10-11H2,2H3.
What are the key properties of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate?
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18935929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).