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

C16H22O4 — CID 57157727

IUPACethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C16H22O4/c1-3-18-15(17)12(2)16(19-13-8-4-5-9-13)20-14-10-6-7-11-14/h8,10H,3-7,9,11H2,1-2H3
InChIKeyNTENAWBOSJRRFN-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.95
Rot. Bonds6

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

ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate (PubChem CID 57157727) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
PubChem CID57157727
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C16H22O4/c1-3-18-15(17)12(2)16(19-13-8-4-5-9-13)20-14-10-6-7-11-14/h8,10H,3-7,9,11H2,1-2H3
InChIKeyNTENAWBOSJRRFN-UHFFFAOYSA-N
XLogP3.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate (CID 57157727) is ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate is CCOC(=O)C(C)=C(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
The InChIKey is NTENAWBOSJRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-18-15(17)12(2)16(19-13-8-4-5-9-13)20-14-10-6-7-11-14/h8,10H,3-7,9,11H2,1-2H3.
What are the key properties of ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
ethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 3.95, 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(cyclopenten-1-yloxy)-2-methylprop-2-enoate is sourced from PubChem (CID 57157727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).