1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene

C12H22 — CID 54400166

IUPAC1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene
SMILESCC1=C(C)C(C)(C(C)C)C1(C)C
InChIInChI=1S/C12H22/c1-8(2)12(7)10(4)9(3)11(12,5)6/h8H,1-7H3
InChIKeyVMVTZVKJLKWPLO-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds1

About 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene

1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene (PubChem CID 54400166) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene.

Molecular Properties

Compound Name1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene
PubChem CID54400166
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene
SMILESCC1=C(C)C(C)(C(C)C)C1(C)C
InChIInChI=1S/C12H22/c1-8(2)12(7)10(4)9(3)11(12,5)6/h8H,1-7H3
InChIKeyVMVTZVKJLKWPLO-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene?
The IUPAC name of 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene (CID 54400166) is 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene.
What is the SMILES notation for 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene?
The canonical SMILES for 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene is CC1=C(C)C(C)(C(C)C)C1(C)C.
What is the InChIKey of 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene?
The InChIKey is VMVTZVKJLKWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)12(7)10(4)9(3)11(12,5)6/h8H,1-7H3.
What are the key properties of 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene?
1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene has a molecular weight of 166.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4-pentamethyl-4-propan-2-ylcyclobutene is sourced from PubChem (CID 54400166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).