1-tert-butyl-2,2-dimethyl-1-propylcyclobutane

C13H26 — CID 143779764

IUPAC1-tert-butyl-2,2-dimethyl-1-propylcyclobutane
SMILESCCCC1(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C13H26/c1-7-8-13(11(2,3)4)10-9-12(13,5)6/h7-10H2,1-6H3
InChIKeyHGWYPPQUWQKKSJ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds2

About 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane

1-tert-butyl-2,2-dimethyl-1-propylcyclobutane (PubChem CID 143779764) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethyl-1-propylcyclobutane
PubChem CID143779764
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-tert-butyl-2,2-dimethyl-1-propylcyclobutane
SMILESCCCC1(C(C)(C)C)CCC1(C)C
InChIInChI=1S/C13H26/c1-7-8-13(11(2,3)4)10-9-12(13,5)6/h7-10H2,1-6H3
InChIKeyHGWYPPQUWQKKSJ-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane?
The IUPAC name of 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane (CID 143779764) is 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane.
What is the SMILES notation for 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane?
The canonical SMILES for 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane is CCCC1(C(C)(C)C)CCC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane?
The InChIKey is HGWYPPQUWQKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-8-13(11(2,3)4)10-9-12(13,5)6/h7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane?
1-tert-butyl-2,2-dimethyl-1-propylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethyl-1-propylcyclobutane is sourced from PubChem (CID 143779764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).