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

C16H18O4 — CID 140736790

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

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

ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate (PubChem CID 140736790) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate
PubChem CID140736790
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nameethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(OC1=CC=CC1)OC1=CC=CC1
InChIInChI=1S/C16H18O4/c1-3-18-15(17)12(2)16(19-13-8-4-5-9-13)20-14-10-6-7-11-14/h4-8,10H,3,9,11H2,1-2H3
InChIKeyQYPCCRVNMOUYGQ-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate
CID 23815275
5-(Cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 134854697
CID 139213735
CID 139213735
ethyl 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole-6-carboxylate
CID 166447959
[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
CID 162921901
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl prop-2-enoate
CID 21843945
2,2-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22223388
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22263329
1,1-Di(cyclopenta-1,3-dien-1-yloxy)propyl 2-methylprop-2-enoate
CID 53693688
1,1-Di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate
CID 54376869
Ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
CID 57157727
Cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
CID 67221936

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate (CID 140736790) is ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate is CCOC(=O)C(C)=C(OC1=CC=CC1)OC1=CC=CC1.
What is the InChIKey of ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate?
The InChIKey is QYPCCRVNMOUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-18-15(17)12(2)16(19-13-8-4-5-9-13)20-14-10-6-7-11-14/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate?
ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-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 ethyl 3,3-di(cyclopenta-1,3-dien-1-yloxy)-2-methylprop-2-enoate is sourced from PubChem (CID 140736790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).