11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one

C10H12O2 — CID 12789276

IUPAC11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
SMILESO=C1C=CC23CCCC2CC1O3
InChIInChI=1S/C10H12O2/c11-8-3-5-10-4-1-2-7(10)6-9(8)12-10/h3,5,7,9H,1-2,4,6H2
InChIKeyPKUHCAHDPPVTCX-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.45
Rot. Bonds

About 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one

11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one (PubChem CID 12789276) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one.

Molecular Properties

Compound Name11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
PubChem CID12789276
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
SMILESO=C1C=CC23CCCC2CC1O3
InChIInChI=1S/C10H12O2/c11-8-3-5-10-4-1-2-7(10)6-9(8)12-10/h3,5,7,9H,1-2,4,6H2
InChIKeyPKUHCAHDPPVTCX-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
The IUPAC name of 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one (CID 12789276) is 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one.
What is the SMILES notation for 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
The canonical SMILES for 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one is O=C1C=CC23CCCC2CC1O3.
What is the InChIKey of 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
The InChIKey is PKUHCAHDPPVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-8-3-5-10-4-1-2-7(10)6-9(8)12-10/h3,5,7,9H,1-2,4,6H2.
What are the key properties of 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one?
11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one has a molecular weight of 164.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one is sourced from PubChem (CID 12789276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).