3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane

C12H24 — CID 123195790

IUPAC3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane
SMILESCCC1(C)C(C(C)(C)C)C1(C)C
InChIInChI=1S/C12H24/c1-8-12(7)9(10(2,3)4)11(12,5)6/h9H,8H2,1-7H3
InChIKeyVVXCHROTFLGIKF-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds1

About 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane

3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane (PubChem CID 123195790) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane
PubChem CID123195790
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane
SMILESCCC1(C)C(C(C)(C)C)C1(C)C
InChIInChI=1S/C12H24/c1-8-12(7)9(10(2,3)4)11(12,5)6/h9H,8H2,1-7H3
InChIKeyVVXCHROTFLGIKF-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane?
The IUPAC name of 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane (CID 123195790) is 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane?
The canonical SMILES for 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane is CCC1(C)C(C(C)(C)C)C1(C)C.
What is the InChIKey of 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane?
The InChIKey is VVXCHROTFLGIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8-12(7)9(10(2,3)4)11(12,5)6/h9H,8H2,1-7H3.
What are the key properties of 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane?
3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 123195790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).