(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one

C13H20O2 — CID 70887532

IUPAC(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
SMILESCC1(C)O[C@]23C[C@H]1CCC2CCCC3=O
InChIInChI=1S/C13H20O2/c1-12(2)10-7-6-9-4-3-5-11(14)13(9,8-10)15-12/h9-10H,3-8H2,1-2H3/t9?,10-,13-/m1/s1
InChIKeyJSABSSQTBPCDMX-SVLLLCHKSA-N
MW208.30 g/mol
LogP2.70
Rot. Bonds

About (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one

(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one (PubChem CID 70887532) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one.

Molecular Properties

Compound Name(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
PubChem CID70887532
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
SMILESCC1(C)O[C@]23C[C@H]1CCC2CCCC3=O
InChIInChI=1S/C13H20O2/c1-12(2)10-7-6-9-4-3-5-11(14)13(9,8-10)15-12/h9-10H,3-8H2,1-2H3/t9?,10-,13-/m1/s1
InChIKeyJSABSSQTBPCDMX-SVLLLCHKSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one?
The IUPAC name of (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one (CID 70887532) is (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one.
What is the SMILES notation for (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one?
The canonical SMILES for (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one is CC1(C)O[C@]23C[C@H]1CCC2CCCC3=O.
What is the InChIKey of (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one?
The InChIKey is JSABSSQTBPCDMX-SVLLLCHKSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2)10-7-6-9-4-3-5-11(14)13(9,8-10)15-12/h9-10H,3-8H2,1-2H3/t9?,10-,13-/m1/s1.
What are the key properties of (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one?
(1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one is sourced from PubChem (CID 70887532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).