(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate

C14H18O4 — CID 147617954

IUPAC(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CCC1CC21COC(=O)C1
InChIInChI=1S/C14H18O4/c1-2-12(15)18-11-5-10-4-3-9(11)6-14(10)7-13(16)17-8-14/h2,9-11H,1,3-8H2
InChIKeySVNUWSKVCGORHJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.84
Rot. Bonds2

About (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate

(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate (PubChem CID 147617954) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate
PubChem CID147617954
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CCC1CC21COC(=O)C1
InChIInChI=1S/C14H18O4/c1-2-12(15)18-11-5-10-4-3-9(11)6-14(10)7-13(16)17-8-14/h2,9-11H,1,3-8H2
InChIKeySVNUWSKVCGORHJ-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate?
The IUPAC name of (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate (CID 147617954) is (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate.
What is the SMILES notation for (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate?
The canonical SMILES for (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate is C=CC(=O)OC1CC2CCC1CC21COC(=O)C1.
What is the InChIKey of (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate?
The InChIKey is SVNUWSKVCGORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-12(15)18-11-5-10-4-3-9(11)6-14(10)7-13(16)17-8-14/h2,9-11H,1,3-8H2.
What are the key properties of (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate?
(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate is sourced from PubChem (CID 147617954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).