1,4-ditert-butyl-3-propan-2-ylcyclobutene

C15H28 — CID 146899130

IUPAC1,4-ditert-butyl-3-propan-2-ylcyclobutene
SMILESCC(C)C1C=C(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H28/c1-10(2)11-9-12(14(3,4)5)13(11)15(6,7)8/h9-11,13H,1-8H3
InChIKeyXRYCGNQXTUPGQN-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.91
Rot. Bonds1

About 1,4-ditert-butyl-3-propan-2-ylcyclobutene

1,4-ditert-butyl-3-propan-2-ylcyclobutene (PubChem CID 146899130) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,4-ditert-butyl-3-propan-2-ylcyclobutene.

Molecular Properties

Compound Name1,4-ditert-butyl-3-propan-2-ylcyclobutene
PubChem CID146899130
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,4-ditert-butyl-3-propan-2-ylcyclobutene
SMILESCC(C)C1C=C(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H28/c1-10(2)11-9-12(14(3,4)5)13(11)15(6,7)8/h9-11,13H,1-8H3
InChIKeyXRYCGNQXTUPGQN-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3-propan-2-ylcyclobutene?
The IUPAC name of 1,4-ditert-butyl-3-propan-2-ylcyclobutene (CID 146899130) is 1,4-ditert-butyl-3-propan-2-ylcyclobutene.
What is the SMILES notation for 1,4-ditert-butyl-3-propan-2-ylcyclobutene?
The canonical SMILES for 1,4-ditert-butyl-3-propan-2-ylcyclobutene is CC(C)C1C=C(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-3-propan-2-ylcyclobutene?
The InChIKey is XRYCGNQXTUPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-10(2)11-9-12(14(3,4)5)13(11)15(6,7)8/h9-11,13H,1-8H3.
What are the key properties of 1,4-ditert-butyl-3-propan-2-ylcyclobutene?
1,4-ditert-butyl-3-propan-2-ylcyclobutene has a molecular weight of 208.39 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-3-propan-2-ylcyclobutene is sourced from PubChem (CID 146899130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).