2-tert-butyl-1,1-dimethylcyclopropane

C9H18 — CID 550368

IUPAC2-tert-butyl-1,1-dimethylcyclopropane
SMILESCC(C)(C)C1CC1(C)C
InChIInChI=1S/C9H18/c1-8(2,3)7-6-9(7,4)5/h7H,6H2,1-5H3
InChIKeyLDKNGQQKDVBBQK-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About 2-tert-butyl-1,1-dimethylcyclopropane

2-tert-butyl-1,1-dimethylcyclopropane (PubChem CID 550368) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2-tert-butyl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-tert-butyl-1,1-dimethylcyclopropane
PubChem CID550368
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2-tert-butyl-1,1-dimethylcyclopropane
SMILESCC(C)(C)C1CC1(C)C
InChIInChI=1S/C9H18/c1-8(2,3)7-6-9(7,4)5/h7H,6H2,1-5H3
InChIKeyLDKNGQQKDVBBQK-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 2-tert-butyl-1,1-dimethylcyclopropane?
The IUPAC name of 2-tert-butyl-1,1-dimethylcyclopropane (CID 550368) is 2-tert-butyl-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-tert-butyl-1,1-dimethylcyclopropane?
The canonical SMILES for 2-tert-butyl-1,1-dimethylcyclopropane is CC(C)(C)C1CC1(C)C.
What is the InChIKey of 2-tert-butyl-1,1-dimethylcyclopropane?
The InChIKey is LDKNGQQKDVBBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-8(2,3)7-6-9(7,4)5/h7H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-1,1-dimethylcyclopropane?
2-tert-butyl-1,1-dimethylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-dimethylcyclopropane is sourced from PubChem (CID 550368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).