8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one

C17H20O2 — CID 152765288

IUPAC8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one
SMILESO=C1C=C2CCC3C(=C2CC1)COCC1C=CCC13
InChIInChI=1S/C17H20O2/c18-13-5-7-15-11(8-13)4-6-16-14-3-1-2-12(14)9-19-10-17(15)16/h1-2,8,12,14,16H,3-7,9-10H2
InChIKeyHXOIOAYOSACESC-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.20
Rot. Bonds

About 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one

8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one (PubChem CID 152765288) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one.

Molecular Properties

Compound Name8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one
PubChem CID152765288
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one
SMILESO=C1C=C2CCC3C(=C2CC1)COCC1C=CCC13
InChIInChI=1S/C17H20O2/c18-13-5-7-15-11(8-13)4-6-16-14-3-1-2-12(14)9-19-10-17(15)16/h1-2,8,12,14,16H,3-7,9-10H2
InChIKeyHXOIOAYOSACESC-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one?
The IUPAC name of 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one (CID 152765288) is 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one.
What is the SMILES notation for 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one?
The canonical SMILES for 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one is O=C1C=C2CCC3C(=C2CC1)COCC1C=CCC13.
What is the InChIKey of 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one?
The InChIKey is HXOIOAYOSACESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-13-5-7-15-11(8-13)4-6-16-14-3-1-2-12(14)9-19-10-17(15)16/h1-2,8,12,14,16H,3-7,9-10H2.
What are the key properties of 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one?
8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one has a molecular weight of 256.34 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatetracyclo[8.8.0.02,6.011,16]octadeca-4,10,15-trien-14-one is sourced from PubChem (CID 152765288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).