2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate

C15H16O4 — CID 130298852

IUPAC2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCC(OC1C=CC=C1)OC1C=CC=C1
InChIInChI=1S/C15H16O4/c1-2-14(16)17-11-15(18-12-7-3-4-8-12)19-13-9-5-6-10-13/h2-10,12-13,15H,1,11H2
InChIKeyKPRASRVLOSWOIV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.06
Rot. Bonds7

About 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate

2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate (PubChem CID 130298852) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate
PubChem CID130298852
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCC(OC1C=CC=C1)OC1C=CC=C1
InChIInChI=1S/C15H16O4/c1-2-14(16)17-11-15(18-12-7-3-4-8-12)19-13-9-5-6-10-13/h2-10,12-13,15H,1,11H2
InChIKeyKPRASRVLOSWOIV-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.06
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(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate?
The IUPAC name of 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate (CID 130298852) is 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate?
The canonical SMILES for 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate is C=CC(=O)OCC(OC1C=CC=C1)OC1C=CC=C1.
What is the InChIKey of 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate?
The InChIKey is KPRASRVLOSWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-14(16)17-11-15(18-12-7-3-4-8-12)19-13-9-5-6-10-13/h2-10,12-13,15H,1,11H2.
What are the key properties of 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate?
2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate has a molecular weight of 260.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate is sourced from PubChem (CID 130298852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).