ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane

C13H28 — CID 161091671

IUPACethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane
SMILESCC.CC(C)(C)C(C)(C)C1(C)CC1
InChIInChI=1S/C11H22.C2H6/c1-9(2,3)10(4,5)11(6)7-8-11;1-2/h7-8H2,1-6H3;1-2H3
InChIKeyUHGJLKDDXFNJMS-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds1

About ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane

ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane (PubChem CID 161091671) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane.

Molecular Properties

Compound Nameethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane
PubChem CID161091671
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane
SMILESCC.CC(C)(C)C(C)(C)C1(C)CC1
InChIInChI=1S/C11H22.C2H6/c1-9(2,3)10(4,5)11(6)7-8-11;1-2/h7-8H2,1-6H3;1-2H3
InChIKeyUHGJLKDDXFNJMS-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane
CID 143373737
bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)
CID 159966865
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
CID 158339173
4-tert-butyl-1,4-dimethylcyclohexan-1-ol
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1-tert-butyl-1-methylcyclopentane
CID 21351462
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
1-(2-hydroperoxypropan-2-yl)-1,4,4-trimethylcyclohexane
CID 20677704
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
[1-fluoro-1-(1-methylcyclopropyl)ethyl]-methylphosphane
CID 170359826
2-(1-methylcyclopropyl)propane-1,2-diol
CID 82710714
bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
CID 160526699
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane?
The IUPAC name of ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane (CID 161091671) is ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane.
What is the SMILES notation for ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane?
The canonical SMILES for ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane is CC.CC(C)(C)C(C)(C)C1(C)CC1.
What is the InChIKey of ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane?
The InChIKey is UHGJLKDDXFNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-9(2,3)10(4,5)11(6)7-8-11;1-2/h7-8H2,1-6H3;1-2H3.
What are the key properties of ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane?
ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1-(2,3,3-trimethylbutan-2-yl)cyclopropane is sourced from PubChem (CID 161091671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).