(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane

C11H20 — CID 159774556

IUPAC(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane
SMILESCC(C)(C)C1[C@@H]2CCC[C@H]1C2
InChIInChI=1S/C11H20/c1-11(2,3)10-8-5-4-6-9(10)7-8/h8-10H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyQJAUQUVGBWTMGC-ULKQDVFKSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds

About (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane

(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane (PubChem CID 159774556) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane
PubChem CID159774556
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane
SMILESCC(C)(C)C1[C@@H]2CCC[C@H]1C2
InChIInChI=1S/C11H20/c1-11(2,3)10-8-5-4-6-9(10)7-8/h8-10H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyQJAUQUVGBWTMGC-ULKQDVFKSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
9-tert-butylbicyclo[3.3.1]nonane
CID 59813982
(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane;ethane;methane;2-methyl-2-azaspiro[3.3]heptane;1-methylazetidine
CID 160542992
(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 171582038
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
1-(3-tert-butyl-2-bicyclo[2.2.1]heptanyl)ethanone
CID 158176722
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane?
The IUPAC name of (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane (CID 159774556) is (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane.
What is the SMILES notation for (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane?
The canonical SMILES for (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane is CC(C)(C)C1[C@@H]2CCC[C@H]1C2.
What is the InChIKey of (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane?
The InChIKey is QJAUQUVGBWTMGC-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H20/c1-11(2,3)10-8-5-4-6-9(10)7-8/h8-10H,4-7H2,1-3H3/t8-,9+,10?.
What are the key properties of (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane?
(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-tert-butylbicyclo[3.1.1]heptane is sourced from PubChem (CID 159774556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).