[2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate

C15H22O4 — CID 18362424

IUPAC[2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=CC(=O)OC12CCC(CC1OC1CCCCO1)C2
InChIInChI=1S/C15H22O4/c1-2-13(16)19-15-7-6-11(10-15)9-12(15)18-14-5-3-4-8-17-14/h2,11-12,14H,1,3-10H2
InChIKeyAZKYPMCKJXFYLN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.57
Rot. Bonds4

About [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate

[2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate (PubChem CID 18362424) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate
PubChem CID18362424
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=CC(=O)OC12CCC(CC1OC1CCCCO1)C2
InChIInChI=1S/C15H22O4/c1-2-13(16)19-15-7-6-11(10-15)9-12(15)18-14-5-3-4-8-17-14/h2,11-12,14H,1,3-10H2
InChIKeyAZKYPMCKJXFYLN-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.57
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-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The IUPAC name of [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate (CID 18362424) is [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate.
What is the SMILES notation for [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The canonical SMILES for [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate is C=CC(=O)OC12CCC(CC1OC1CCCCO1)C2.
What is the InChIKey of [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The InChIKey is AZKYPMCKJXFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-13(16)19-15-7-6-11(10-15)9-12(15)18-14-5-3-4-8-17-14/h2,11-12,14H,1,3-10H2.
What are the key properties of [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate?
[2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-2-yloxy)-1-bicyclo[2.2.1]heptanyl] prop-2-enoate is sourced from PubChem (CID 18362424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).