2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane

C11H18O — CID 121224533

IUPAC2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane
SMILESCC1(C)C2CC3COC1(C)C3C2
InChIInChI=1S/C11H18O/c1-10(2)8-4-7-6-12-11(10,3)9(7)5-8/h7-9H,4-6H2,1-3H3
InChIKeyDNQMFKXZTNGRLO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.46
Rot. Bonds

About 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane

2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane (PubChem CID 121224533) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane
PubChem CID121224533
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane
SMILESCC1(C)C2CC3COC1(C)C3C2
InChIInChI=1S/C11H18O/c1-10(2)8-4-7-6-12-11(10,3)9(7)5-8/h7-9H,4-6H2,1-3H3
InChIKeyDNQMFKXZTNGRLO-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
CID 155589435
2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
CID 22898119
7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride
CID 45081420
6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol
CID 91002830
CID 134854947
CID 134854947
(5aS,8aR)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-[1,3]dioxepino[5,6-c]pyrrole
CID 155821556
2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one
CID 130037552
3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
CID 123688869
(1S,7R)-4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
CID 11029957
CID 70268544
CID 70268544
1-[(1S,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 98051573

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane (CID 121224533) is 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane is CC1(C)C2CC3COC1(C)C3C2.
What is the InChIKey of 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane?
The InChIKey is DNQMFKXZTNGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)8-4-7-6-12-11(10,3)9(7)5-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane?
2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 121224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).