11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one

C10H12O2 — CID 565985

IUPAC11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
SMILESO=C1C2CCCC1C1C=CC2O1
InChIInChI=1S/C10H12O2/c11-10-6-2-1-3-7(10)9-5-4-8(6)12-9/h4-9H,1-3H2
InChIKeyONSBKTHVMNVUEM-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.31
Rot. Bonds

About 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one

11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one (PubChem CID 565985) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one.

Molecular Properties

Compound Name11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
PubChem CID565985
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
SMILESO=C1C2CCCC1C1C=CC2O1
InChIInChI=1S/C10H12O2/c11-10-6-2-1-3-7(10)9-5-4-8(6)12-9/h4-9H,1-3H2
InChIKeyONSBKTHVMNVUEM-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
The IUPAC name of 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one (CID 565985) is 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one.
What is the SMILES notation for 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
The canonical SMILES for 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one is O=C1C2CCCC1C1C=CC2O1.
What is the InChIKey of 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
The InChIKey is ONSBKTHVMNVUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-10-6-2-1-3-7(10)9-5-4-8(6)12-9/h4-9H,1-3H2.
What are the key properties of 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one has a molecular weight of 164.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one is sourced from PubChem (CID 565985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).