3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one

C17H24O2 — CID 140617703

IUPAC3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
SMILESO=C1CCC2CCC3C4CC=CC4CCC3C2OC1
InChIInChI=1S/C17H24O2/c18-13-7-4-12-6-8-15-14-3-1-2-11(14)5-9-16(15)17(12)19-10-13/h1-2,11-12,14-17H,3-10H2
InChIKeyYQFMICOGOQXUMM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.36
Rot. Bonds

About 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one

3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one (PubChem CID 140617703) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one.

Molecular Properties

Compound Name3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
PubChem CID140617703
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
SMILESO=C1CCC2CCC3C4CC=CC4CCC3C2OC1
InChIInChI=1S/C17H24O2/c18-13-7-4-12-6-8-15-14-3-1-2-11(14)5-9-16(15)17(12)19-10-13/h1-2,11-12,14-17H,3-10H2
InChIKeyYQFMICOGOQXUMM-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Oxa-tricyclo(4,3,1,03,7)dec-8-en-2-one
CID 129847970
3-Oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-6-one
CID 140617704
14-(2-Prop-1-en-2-yloxyacetyl)-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6,13-trien-5-one
CID 145129314

Frequently Asked Questions

What is the IUPAC name of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
The IUPAC name of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one (CID 140617703) is 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one.
What is the SMILES notation for 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
The canonical SMILES for 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one is O=C1CCC2CCC3C4CC=CC4CCC3C2OC1.
What is the InChIKey of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
The InChIKey is YQFMICOGOQXUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-13-7-4-12-6-8-15-14-3-1-2-11(14)5-9-16(15)17(12)19-10-13/h1-2,11-12,14-17H,3-10H2.
What are the key properties of 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one?
3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one has a molecular weight of 260.38 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one is sourced from PubChem (CID 140617703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).