1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one

C11H16O — CID 130037243

IUPAC1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one
SMILESCC12CCC3C(C1)C(=O)C3(C)C2
InChIInChI=1S/C11H16O/c1-10-4-3-8-7(5-10)9(12)11(8,2)6-10/h7-8H,3-6H2,1-2H3
InChIKeyAVNSVMJSVPRPBV-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds

About 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one

1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one (PubChem CID 130037243) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one.

Molecular Properties

Compound Name1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one
PubChem CID130037243
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one
SMILESCC12CCC3C(C1)C(=O)C3(C)C2
InChIInChI=1S/C11H16O/c1-10-4-3-8-7(5-10)9(12)11(8,2)6-10/h7-8H,3-6H2,1-2H3
InChIKeyAVNSVMJSVPRPBV-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
CID 98043952
(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one
CID 11031324
4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
CID 14697674
(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
(1R,3S,4S)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 98545590
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
(1R,3S,4S)-3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 76963025
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
(1R,4R,7R)-7-bromo-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 101256815
(3R)-4,4-dibromo-3,7-dimethyltetracyclo[5.4.0.02,9.03,5]undecan-8-one
CID 135077134
(1S,4R,5S)-1,4-dimethylbicyclo[3.2.1]octan-3-one
CID 124563688
(1R,3S,4R)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 3006542

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one?
The IUPAC name of 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one (CID 130037243) is 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one.
What is the SMILES notation for 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one?
The canonical SMILES for 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one is CC12CCC3C(C1)C(=O)C3(C)C2.
What is the InChIKey of 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one?
The InChIKey is AVNSVMJSVPRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-10-4-3-8-7(5-10)9(12)11(8,2)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one?
1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one has a molecular weight of 164.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one is sourced from PubChem (CID 130037243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).