1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate

C16H18O4 — CID 22263329

IUPAC1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C16H18O4/c1-12(2)15(17)20-16(3,18-13-8-4-5-9-13)19-14-10-6-7-11-14/h4-8,10H,1,9,11H2,2-3H3
InChIKeyFQIMAZPHGDUUMR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.50
Rot. Bonds6

About 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate

1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 22263329) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID22263329
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C16H18O4/c1-12(2)15(17)20-16(3,18-13-8-4-5-9-13)19-14-10-6-7-11-14/h4-8,10H,1,9,11H2,2-3H3
InChIKeyFQIMAZPHGDUUMR-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.50
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 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate (CID 22263329) is 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(OC1=CC=CC1)OC1=CC=CC1.
What is the InChIKey of 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is FQIMAZPHGDUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-12(2)15(17)20-16(3,18-13-8-4-5-9-13)19-14-10-6-7-11-14/h4-8,10H,1,9,11H2,2-3H3.
What are the key properties of 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate?
1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22263329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).