3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one

C9H12O2 — CID 85238674

IUPAC3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
SMILESCC12CC3CC1CC(O2)C3=O
InChIInChI=1S/C9H12O2/c1-9-4-5-2-6(9)3-7(11-9)8(5)10/h5-7H,2-4H2,1H3
InChIKeyLIPKRICEQJDWHK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.14
Rot. Bonds

About 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one

3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one (PubChem CID 85238674) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one.

Molecular Properties

Compound Name3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
PubChem CID85238674
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
SMILESCC12CC3CC1CC(O2)C3=O
InChIInChI=1S/C9H12O2/c1-9-4-5-2-6(9)3-7(11-9)8(5)10/h5-7H,2-4H2,1H3
InChIKeyLIPKRICEQJDWHK-UHFFFAOYSA-N
XLogP1.14
TPSA26.30 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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R,5R,7R)-3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
CID 10701998
(1S,3R,4R,6S,8S)-4-chloro-3-methoxy-2-oxatricyclo[4.3.1.03,8]decan-10-one
CID 100979872
(1S,3R,4R,6S,8S)-4-bromo-3-ethoxy-2-oxatricyclo[4.3.1.03,8]decan-10-one
CID 100979873
4-chloro-10-oxo-2-oxatricyclo[4.3.1.03,8]decane-3-carbonitrile
CID 102010476
(1S,3S,5S,7S)-5-(hydroxymethyl)-3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
CID 102287405
(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
CID 10654444
9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]trideca-2,5-dien-4-one
CID 74109618
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
8-amino-8-methyl-5-oxatricyclo[4.4.1.13,9]dodecan-4-one
CID 167249898
(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
CID 155589435
(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
CID 10442331
(1R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 98049650

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one?
The IUPAC name of 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one (CID 85238674) is 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one.
What is the SMILES notation for 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one?
The canonical SMILES for 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one is CC12CC3CC1CC(O2)C3=O.
What is the InChIKey of 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one?
The InChIKey is LIPKRICEQJDWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-9-4-5-2-6(9)3-7(11-9)8(5)10/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one?
3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one has a molecular weight of 152.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one is sourced from PubChem (CID 85238674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).