1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane

C14H28 — CID 91315864

IUPAC1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane
SMILESCCC(C)C1(CC)CC(C(C)(C)C)C1
InChIInChI=1S/C14H28/c1-7-11(3)14(8-2)9-12(10-14)13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyGZOJPXSPEFYJMK-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds3

About 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane

1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane (PubChem CID 91315864) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane.

Molecular Properties

Compound Name1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane
PubChem CID91315864
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane
SMILESCCC(C)C1(CC)CC(C(C)(C)C)C1
InChIInChI=1S/C14H28/c1-7-11(3)14(8-2)9-12(10-14)13(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyGZOJPXSPEFYJMK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane?
The IUPAC name of 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane (CID 91315864) is 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane.
What is the SMILES notation for 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane?
The canonical SMILES for 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane is CCC(C)C1(CC)CC(C(C)(C)C)C1.
What is the InChIKey of 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane?
The InChIKey is GZOJPXSPEFYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-11(3)14(8-2)9-12(10-14)13(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane?
1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-tert-butyl-1-ethylcyclobutane is sourced from PubChem (CID 91315864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).