3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane

C15H28O — CID 126615138

IUPAC3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
SMILESCC(C)OC(C)C1(C)CC2CCCC(C2)C1
InChIInChI=1S/C15H28O/c1-11(2)16-12(3)15(4)9-13-6-5-7-14(8-13)10-15/h11-14H,5-10H2,1-4H3
InChIKeyXFGDPJXPRBSRRA-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.41
Rot. Bonds3

About 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane

3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane (PubChem CID 126615138) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
PubChem CID126615138
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
SMILESCC(C)OC(C)C1(C)CC2CCCC(C2)C1
InChIInChI=1S/C15H28O/c1-11(2)16-12(3)15(4)9-13-6-5-7-14(8-13)10-15/h11-14H,5-10H2,1-4H3
InChIKeyXFGDPJXPRBSRRA-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane
CID 126615139
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid
CID 90148363
(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168995415
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436
3-propan-2-ylbicyclo[3.2.1]octan-3-ol
CID 140568777
cyclohexane;2-propan-2-yloxypropane
CID 22558525
bicyclo[4.3.1]decane
CID 12592588
(1S,6R)-bicyclo[4.3.1]decane
CID 58154231
4-[[(3-methyl-3-bicyclo[3.3.1]nonanyl)amino]methyl]cyclohexan-1-ol
CID 134232437
N-propan-2-ylbicyclo[3.3.1]nonan-3-amine
CID 59530623
1-cyclopropylethylcyclopentane
CID 147777183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane (CID 126615138) is 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane is CC(C)OC(C)C1(C)CC2CCCC(C2)C1.
What is the InChIKey of 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane?
The InChIKey is XFGDPJXPRBSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11(2)16-12(3)15(4)9-13-6-5-7-14(8-13)10-15/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane?
3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane has a molecular weight of 224.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane is sourced from PubChem (CID 126615138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).