1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane

C13H26 — CID 123279609

IUPAC1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane
SMILESCC(C)C1C(C)C(C)C1C(C)(C)C
InChIInChI=1S/C13H26/c1-8(2)11-9(3)10(4)12(11)13(5,6)7/h8-12H,1-7H3
InChIKeyINVMJZUCVIAVEH-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.21
Rot. Bonds1

About 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane

1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane (PubChem CID 123279609) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane
PubChem CID123279609
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane
SMILESCC(C)C1C(C)C(C)C1C(C)(C)C
InChIInChI=1S/C13H26/c1-8(2)11-9(3)10(4)12(11)13(5,6)7/h8-12H,1-7H3
InChIKeyINVMJZUCVIAVEH-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane?
The IUPAC name of 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane (CID 123279609) is 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane.
What is the SMILES notation for 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane?
The canonical SMILES for 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane is CC(C)C1C(C)C(C)C1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane?
The InChIKey is INVMJZUCVIAVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-8(2)11-9(3)10(4)12(11)13(5,6)7/h8-12H,1-7H3.
What are the key properties of 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane?
1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dimethyl-4-propan-2-ylcyclobutane is sourced from PubChem (CID 123279609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).