1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane

C12H21- — CID 90766244

IUPAC1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane
SMILESCCC(C)C1CC1C1(C)[CH-]C1C
InChIInChI=1S/C12H21/c1-5-8(2)10-6-11(10)12(4)7-9(12)3/h7-11H,5-6H2,1-4H3/q-1
InChIKeyFKNQLWJTSVNTTK-UHFFFAOYSA-N
MW165.30 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane

1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane (PubChem CID 90766244) has the molecular formula C12H21- and a molecular weight of 165.30 g/mol. Its IUPAC name is 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane
PubChem CID90766244
Molecular FormulaC12H21-
Molecular Weight165.30 g/mol
Exact Mass165.16
IUPAC Name1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane
SMILESCCC(C)C1CC1C1(C)[CH-]C1C
InChIInChI=1S/C12H21/c1-5-8(2)10-6-11(10)12(4)7-9(12)3/h7-11H,5-6H2,1-4H3/q-1
InChIKeyFKNQLWJTSVNTTK-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane?
The IUPAC name of 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane (CID 90766244) is 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane.
What is the SMILES notation for 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane?
The canonical SMILES for 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane is CCC(C)C1CC1C1(C)[CH-]C1C.
What is the InChIKey of 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane?
The InChIKey is FKNQLWJTSVNTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21/c1-5-8(2)10-6-11(10)12(4)7-9(12)3/h7-11H,5-6H2,1-4H3/q-1.
What are the key properties of 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane?
1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane has a molecular weight of 165.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane is sourced from PubChem (CID 90766244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).