3-butan-2-yltricyclo[3.2.1.01,4]octane

C12H20 — CID 123794716

IUPAC3-butan-2-yltricyclo[3.2.1.01,4]octane
SMILESCCC(C)C1CC23CCC(C2)C13
InChIInChI=1S/C12H20/c1-3-8(2)10-7-12-5-4-9(6-12)11(10)12/h8-11H,3-7H2,1-2H3
InChIKeyNAMGNTZLUAQNHW-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds2

About 3-butan-2-yltricyclo[3.2.1.01,4]octane

3-butan-2-yltricyclo[3.2.1.01,4]octane (PubChem CID 123794716) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-butan-2-yltricyclo[3.2.1.01,4]octane.

Molecular Properties

Compound Name3-butan-2-yltricyclo[3.2.1.01,4]octane
PubChem CID123794716
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-butan-2-yltricyclo[3.2.1.01,4]octane
SMILESCCC(C)C1CC23CCC(C2)C13
InChIInChI=1S/C12H20/c1-3-8(2)10-7-12-5-4-9(6-12)11(10)12/h8-11H,3-7H2,1-2H3
InChIKeyNAMGNTZLUAQNHW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
CID 90723847
2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
1-butan-2-yl-2-ethylcyclobutane
CID 91142944
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
butan-2-ylsilane;cyclopentylcyclopentane
CID 174854150
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
CID 123875963
2-butan-2-ylcycloheptan-1-ol
CID 23148884
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yltricyclo[3.2.1.01,4]octane?
The IUPAC name of 3-butan-2-yltricyclo[3.2.1.01,4]octane (CID 123794716) is 3-butan-2-yltricyclo[3.2.1.01,4]octane.
What is the SMILES notation for 3-butan-2-yltricyclo[3.2.1.01,4]octane?
The canonical SMILES for 3-butan-2-yltricyclo[3.2.1.01,4]octane is CCC(C)C1CC23CCC(C2)C13.
What is the InChIKey of 3-butan-2-yltricyclo[3.2.1.01,4]octane?
The InChIKey is NAMGNTZLUAQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-8(2)10-7-12-5-4-9(6-12)11(10)12/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-butan-2-yltricyclo[3.2.1.01,4]octane?
3-butan-2-yltricyclo[3.2.1.01,4]octane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yltricyclo[3.2.1.01,4]octane is sourced from PubChem (CID 123794716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).