6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane

C20H38 — CID 163468164

IUPAC6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
SMILESCC(C)(C)C1C2CCCC21.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H18.C10H20/c1-10(2,3)9-7-5-4-6-8(7)9;1-10(2,3)9-7-5-4-6-8-9/h7-9H,4-6H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyBUISDYNBCGTEGA-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds

About 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane

6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane (PubChem CID 163468164) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane.

Molecular Properties

Compound Name6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
PubChem CID163468164
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
SMILESCC(C)(C)C1C2CCCC21.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H18.C10H20/c1-10(2,3)9-7-5-4-6-8(7)9;1-10(2,3)9-7-5-4-6-8-9/h7-9H,4-6H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyBUISDYNBCGTEGA-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
tert-butylcyclohexane;sulfuryl dichloride
CID 175416889
acetic acid;tert-butylcyclohexane
CID 69013500
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59655988
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
CID 162282781

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane?
The IUPAC name of 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane (CID 163468164) is 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane.
What is the SMILES notation for 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane?
The canonical SMILES for 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane is CC(C)(C)C1C2CCCC21.CC(C)(C)C1CCCCC1.
What is the InChIKey of 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane?
The InChIKey is BUISDYNBCGTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C10H20/c1-10(2,3)9-7-5-4-6-8(7)9;1-10(2,3)9-7-5-4-6-8-9/h7-9H,4-6H2,1-3H3;9H,4-8H2,1-3H3.
What are the key properties of 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane?
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane is sourced from PubChem (CID 163468164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).