3,3-dimethylbutan-2-ylcyclopropane

C9H18 — CID 13275215

IUPAC3,3-dimethylbutan-2-ylcyclopropane
SMILESCC(C1CC1)C(C)(C)C
InChIInChI=1S/C9H18/c1-7(8-5-6-8)9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyMZOWUGDQJDDQBJ-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

About 3,3-dimethylbutan-2-ylcyclopropane

3,3-dimethylbutan-2-ylcyclopropane (PubChem CID 13275215) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-ylcyclopropane.

Molecular Properties

Compound Name3,3-dimethylbutan-2-ylcyclopropane
PubChem CID13275215
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name3,3-dimethylbutan-2-ylcyclopropane
SMILESCC(C1CC1)C(C)(C)C
InChIInChI=1S/C9H18/c1-7(8-5-6-8)9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyMZOWUGDQJDDQBJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-ylcyclopropane?
The IUPAC name of 3,3-dimethylbutan-2-ylcyclopropane (CID 13275215) is 3,3-dimethylbutan-2-ylcyclopropane.
What is the SMILES notation for 3,3-dimethylbutan-2-ylcyclopropane?
The canonical SMILES for 3,3-dimethylbutan-2-ylcyclopropane is CC(C1CC1)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-ylcyclopropane?
The InChIKey is MZOWUGDQJDDQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-7(8-5-6-8)9(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3-dimethylbutan-2-ylcyclopropane?
3,3-dimethylbutan-2-ylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-ylcyclopropane is sourced from PubChem (CID 13275215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).