1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane

C16H34 — CID 162220586

IUPAC1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
SMILESC.CC(C)C1(C)CC1.CC(C)C1CC1(C)C
InChIInChI=1S/C8H16.C7H14.CH4/c1-6(2)7-5-8(7,3)4;1-6(2)7(3)4-5-7;/h6-7H,5H2,1-4H3;6H,4-5H2,1-3H3;1H4
InChIKeyZUBJMHPDALPSTJ-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds2

About 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane

1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane (PubChem CID 162220586) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
PubChem CID162220586
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
SMILESC.CC(C)C1(C)CC1.CC(C)C1CC1(C)C
InChIInChI=1S/C8H16.C7H14.CH4/c1-6(2)7-5-8(7,3)4;1-6(2)7(3)4-5-7;/h6-7H,5H2,1-4H3;6H,4-5H2,1-3H3;1H4
InChIKeyZUBJMHPDALPSTJ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-methyl-7-propan-2-ylspiro[3.5]nonane
CID 142824876
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine
CID 131065518
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
1-cyclopropyl-1-methyl-2-propan-2-ylcyclopropane
CID 123698843
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane?
The IUPAC name of 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane (CID 162220586) is 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane?
The canonical SMILES for 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane is C.CC(C)C1(C)CC1.CC(C)C1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane?
The InChIKey is ZUBJMHPDALPSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H14.CH4/c1-6(2)7-5-8(7,3)4;1-6(2)7(3)4-5-7;/h6-7H,5H2,1-4H3;6H,4-5H2,1-3H3;1H4.
What are the key properties of 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane?
1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane is sourced from PubChem (CID 162220586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).