9,9-dimethyl-3-oxabicyclo[3.3.1]nonane

C10H18O — CID 159685606

IUPAC9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
SMILESCC1(C)C2CCCC1COC2
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-5-9(10)7-11-6-8/h8-9H,3-7H2,1-2H3
InChIKeyOLCSPNSCUWLDGF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds

About 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane

9,9-dimethyl-3-oxabicyclo[3.3.1]nonane (PubChem CID 159685606) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
PubChem CID159685606
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
SMILESCC1(C)C2CCCC1COC2
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-5-9(10)7-11-6-8/h8-9H,3-7H2,1-2H3
InChIKeyOLCSPNSCUWLDGF-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
CID 102586581
3-methyl-3-(oxetan-3-yl)dioxetane
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(8aR)-1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
CID 87058026
1a,2,4,4a,5,6,7,8-octahydrooxireno[2,3-d]isochromene
CID 86668656
9-methyl-3-oxabicyclo[3.3.1]nonane
CID 90743845
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
CID 107137841
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CID 117227438
5-cyclohexyl-5-methyl-1,3-dioxane
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CID 58667675

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
The IUPAC name of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane (CID 159685606) is 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane is CC1(C)C2CCCC1COC2.
What is the InChIKey of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
The InChIKey is OLCSPNSCUWLDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-4-3-5-9(10)7-11-6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
9,9-dimethyl-3-oxabicyclo[3.3.1]nonane has a molecular weight of 154.25 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 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 159685606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).