2-pentan-3-ylbicyclo[3.2.1]octane

C13H24 — CID 90865364

IUPAC2-pentan-3-ylbicyclo[3.2.1]octane
SMILESCCC(CC)C1CCC2CCC1C2
InChIInChI=1S/C13H24/c1-3-11(4-2)13-8-6-10-5-7-12(13)9-10/h10-13H,3-9H2,1-2H3
InChIKeyOTGSDLHKKUUPQL-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds3

About 2-pentan-3-ylbicyclo[3.2.1]octane

2-pentan-3-ylbicyclo[3.2.1]octane (PubChem CID 90865364) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-pentan-3-ylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-pentan-3-ylbicyclo[3.2.1]octane
PubChem CID90865364
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-pentan-3-ylbicyclo[3.2.1]octane
SMILESCCC(CC)C1CCC2CCC1C2
InChIInChI=1S/C13H24/c1-3-11(4-2)13-8-6-10-5-7-12(13)9-10/h10-13H,3-9H2,1-2H3
InChIKeyOTGSDLHKKUUPQL-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-bicyclo[2.2.2]octanyl)propan-1-ol
CID 130126580
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine
CID 94397810
tricyclo[5.3.2.04,9]dodecane
CID 54490019
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentyl]hydrazine
CID 105266865
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
CID 130494691
[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane
CID 174437118

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-ylbicyclo[3.2.1]octane?
The IUPAC name of 2-pentan-3-ylbicyclo[3.2.1]octane (CID 90865364) is 2-pentan-3-ylbicyclo[3.2.1]octane.
What is the SMILES notation for 2-pentan-3-ylbicyclo[3.2.1]octane?
The canonical SMILES for 2-pentan-3-ylbicyclo[3.2.1]octane is CCC(CC)C1CCC2CCC1C2.
What is the InChIKey of 2-pentan-3-ylbicyclo[3.2.1]octane?
The InChIKey is OTGSDLHKKUUPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-11(4-2)13-8-6-10-5-7-12(13)9-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-pentan-3-ylbicyclo[3.2.1]octane?
2-pentan-3-ylbicyclo[3.2.1]octane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-ylbicyclo[3.2.1]octane is sourced from PubChem (CID 90865364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).