5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane

C12H20 — CID 143329960

IUPAC5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
SMILESCC1(C)CC(C2C3CCC2C3)C1
InChIInChI=1S/C12H20/c1-12(2)6-10(7-12)11-8-3-4-9(11)5-8/h8-11H,3-7H2,1-2H3
InChIKeyHBFIKJYYIALADX-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds1

About 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane

5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane (PubChem CID 143329960) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
PubChem CID143329960
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
SMILESCC1(C)CC(C2C3CCC2C3)C1
InChIInChI=1S/C12H20/c1-12(2)6-10(7-12)11-8-3-4-9(11)5-8/h8-11H,3-7H2,1-2H3
InChIKeyHBFIKJYYIALADX-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
CID 114095713
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
4,4,6,7-tetramethyltricyclo[8.2.0.02,12]dodecane
CID 123703409
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
(1S,2R,3R,6S,7S,8R)-12,12-dimethyl-4,5-diazatetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 13222111
2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane?
The IUPAC name of 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane (CID 143329960) is 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane.
What is the SMILES notation for 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane?
The canonical SMILES for 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane is CC1(C)CC(C2C3CCC2C3)C1.
What is the InChIKey of 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane?
The InChIKey is HBFIKJYYIALADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-12(2)6-10(7-12)11-8-3-4-9(11)5-8/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane?
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane is sourced from PubChem (CID 143329960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).