10-oxatricyclo[4.3.1.01,6]decan-7-one

C9H12O2 — CID 549133

IUPAC10-oxatricyclo[4.3.1.01,6]decan-7-one
SMILESO=C1CCC23CCCCC12O3
InChIInChI=1S/C9H12O2/c10-7-3-6-8-4-1-2-5-9(7,8)11-8/h1-6H2
InChIKeyJOPZPSOOJYBSJO-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.43
Rot. Bonds

About 10-oxatricyclo[4.3.1.01,6]decan-7-one

10-oxatricyclo[4.3.1.01,6]decan-7-one (PubChem CID 549133) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 10-oxatricyclo[4.3.1.01,6]decan-7-one.

Molecular Properties

Compound Name10-oxatricyclo[4.3.1.01,6]decan-7-one
PubChem CID549133
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name10-oxatricyclo[4.3.1.01,6]decan-7-one
SMILESO=C1CCC23CCCCC12O3
InChIInChI=1S/C9H12O2/c10-7-3-6-8-4-1-2-5-9(7,8)11-8/h1-6H2
InChIKeyJOPZPSOOJYBSJO-UHFFFAOYSA-N
XLogP1.43
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxatricyclo[4.3.1.01,6]decan-7-one?
The IUPAC name of 10-oxatricyclo[4.3.1.01,6]decan-7-one (CID 549133) is 10-oxatricyclo[4.3.1.01,6]decan-7-one.
What is the SMILES notation for 10-oxatricyclo[4.3.1.01,6]decan-7-one?
The canonical SMILES for 10-oxatricyclo[4.3.1.01,6]decan-7-one is O=C1CCC23CCCCC12O3.
What is the InChIKey of 10-oxatricyclo[4.3.1.01,6]decan-7-one?
The InChIKey is JOPZPSOOJYBSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-3-6-8-4-1-2-5-9(7,8)11-8/h1-6H2.
What are the key properties of 10-oxatricyclo[4.3.1.01,6]decan-7-one?
10-oxatricyclo[4.3.1.01,6]decan-7-one has a molecular weight of 152.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatricyclo[4.3.1.01,6]decan-7-one is sourced from PubChem (CID 549133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).