tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane

C43H96 — CID 160918064

IUPACtert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
SMILESC.CC.CC.CC.CC.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20.C9H18.C8H16.C7H14.4C2H6.CH4/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6;4*1-2;/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;4*1-2H3;1H4
InChIKeySRQZKFSRGQFDCP-UHFFFAOYSA-N
MW613.24 g/mol
LogP16.85
Rot. Bonds

About tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane (PubChem CID 160918064) has the molecular formula C43H96 and a molecular weight of 613.24 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane.

Molecular Properties

Compound Nametert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
PubChem CID160918064
Molecular FormulaC43H96
Molecular Weight613.24 g/mol
Exact Mass612.75
IUPAC Nametert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
SMILESC.CC.CC.CC.CC.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20.C9H18.C8H16.C7H14.4C2H6.CH4/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6;4*1-2;/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;4*1-2H3;1H4
InChIKeySRQZKFSRGQFDCP-UHFFFAOYSA-N
XLogP16.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.24
LogP ≤ 516.85
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
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
CID 162282781
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
CID 163468164
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
CID 167686199
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
tert-butylcyclohexane;sulfuryl dichloride
CID 175416889

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane?
The IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane (CID 160918064) is tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane.
What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane?
The canonical SMILES for tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane is C.CC.CC.CC.CC.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.
What is the InChIKey of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane?
The InChIKey is SRQZKFSRGQFDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H18.C8H16.C7H14.4C2H6.CH4/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6;4*1-2;/h9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;4*1-2H3;1H4.
What are the key properties of tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane?
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane has a molecular weight of 613.24 g/mol, XLogP of 16.85, 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;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane is sourced from PubChem (CID 160918064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).