tert-butylcyclobutane;tert-butylcyclohexane;ethane

C22H48 — CID 167597631

IUPACtert-butylcyclobutane;tert-butylcyclohexane;ethane
SMILESCC.CC.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20.C8H16.2C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-7;2*1-2/h9H,4-8H2,1-3H3;7H,4-6H2,1-3H3;2*1-2H3
InChIKeyJHJPDGCGTNLSKY-UHFFFAOYSA-N
MW312.63 g/mol
LogP8.50
Rot. Bonds

About tert-butylcyclobutane;tert-butylcyclohexane;ethane

tert-butylcyclobutane;tert-butylcyclohexane;ethane (PubChem CID 167597631) has the molecular formula C22H48 and a molecular weight of 312.63 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclohexane;ethane.

Molecular Properties

Compound Nametert-butylcyclobutane;tert-butylcyclohexane;ethane
PubChem CID167597631
Molecular FormulaC22H48
Molecular Weight312.63 g/mol
Exact Mass312.38
IUPAC Nametert-butylcyclobutane;tert-butylcyclohexane;ethane
SMILESCC.CC.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20.C8H16.2C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-7;2*1-2/h9H,4-8H2,1-3H3;7H,4-6H2,1-3H3;2*1-2H3
InChIKeyJHJPDGCGTNLSKY-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.63
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
CID 162282781
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
CID 163468164
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
acetic acid;tert-butylcyclohexane
CID 69013500
tert-butylcyclohexane;sulfuryl dichloride
CID 175416889
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;ethane?
The IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;ethane (CID 167597631) is tert-butylcyclobutane;tert-butylcyclohexane;ethane.
What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclohexane;ethane?
The canonical SMILES for tert-butylcyclobutane;tert-butylcyclohexane;ethane is CC.CC.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.
What is the InChIKey of tert-butylcyclobutane;tert-butylcyclohexane;ethane?
The InChIKey is JHJPDGCGTNLSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H16.2C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-5-4-6-7;2*1-2/h9H,4-8H2,1-3H3;7H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of tert-butylcyclobutane;tert-butylcyclohexane;ethane?
tert-butylcyclobutane;tert-butylcyclohexane;ethane has a molecular weight of 312.63 g/mol, XLogP of 8.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;tert-butylcyclohexane;ethane is sourced from PubChem (CID 167597631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).