2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane

C13H26 — CID 123830542

IUPAC2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
SMILESCC(C)(C)CC1(C)CC1C(C)(C)C
InChIInChI=1S/C13H26/c1-11(2,3)9-13(7)8-10(13)12(4,5)6/h10H,8-9H2,1-7H3
InChIKeyNYUDHCFWERFHJC-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds1

About 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane

2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane (PubChem CID 123830542) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
PubChem CID123830542
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
SMILESCC(C)(C)CC1(C)CC1C(C)(C)C
InChIInChI=1S/C13H26/c1-11(2,3)9-13(7)8-10(13)12(4,5)6/h10H,8-9H2,1-7H3
InChIKeyNYUDHCFWERFHJC-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-dimethylpropyl)-1-methyl-2-pentan-3-ylcyclopropane
CID 123698002
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728
N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
CID 159564293
1,1,2-tritert-butylcyclopropane
CID 12714136
1-(2,2-dimethylpropyl)-2-methylcyclopropan-1-amine
CID 79333729
6-(2,2-dimethylpropyl)-1-ethyl-2,2,6-trimethylbicyclo[3.2.0]heptane
CID 123630541
bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 162149662
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
4-tert-butyl-3,3-dimethylcyclohexan-1-amine
CID 123956056
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane?
The IUPAC name of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane (CID 123830542) is 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane.
What is the SMILES notation for 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane?
The canonical SMILES for 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane is CC(C)(C)CC1(C)CC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane?
The InChIKey is NYUDHCFWERFHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11(2,3)9-13(7)8-10(13)12(4,5)6/h10H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane?
2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane is sourced from PubChem (CID 123830542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).