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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Related Compounds

(1S,6R)-8,10-dioxatricyclo[4.3.1.01,6]decane-7,9-dione
CID 88796151
13-oxadispiro[4.0.66.25]tetradecan-14-one
CID 10465651
3,3-dichloro-1-oxaspiro[3.4]octan-2-one
CID 10607885
1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one
CID 14267341
3,3-dimethyl-1-oxaspiro[3.6]decan-2-one
CID 14540537
(5S,6S,12E)-12-benzylidene-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one
CID 10637822
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione
CID 54217029
11-oxadispiro[2.0.64.13]undecane
CID 24976266
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452

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).