1,2,3,3-tetramethylcyclobutene

C8H14 — CID 54020330

IUPAC1,2,3,3-tetramethylcyclobutene
SMILESCC1=C(C)C(C)(C)C1
InChIInChI=1S/C8H14/c1-6-5-8(3,4)7(6)2/h5H2,1-4H3
InChIKeyKYLWWSSCPINBQF-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds

About 1,2,3,3-tetramethylcyclobutene

1,2,3,3-tetramethylcyclobutene (PubChem CID 54020330) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1,2,3,3-tetramethylcyclobutene.

Molecular Properties

Compound Name1,2,3,3-tetramethylcyclobutene
PubChem CID54020330
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1,2,3,3-tetramethylcyclobutene
SMILESCC1=C(C)C(C)(C)C1
InChIInChI=1S/C8H14/c1-6-5-8(3,4)7(6)2/h5H2,1-4H3
InChIKeyKYLWWSSCPINBQF-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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-tetramethylcyclobutene?
The IUPAC name of 1,2,3,3-tetramethylcyclobutene (CID 54020330) is 1,2,3,3-tetramethylcyclobutene.
What is the SMILES notation for 1,2,3,3-tetramethylcyclobutene?
The canonical SMILES for 1,2,3,3-tetramethylcyclobutene is CC1=C(C)C(C)(C)C1.
What is the InChIKey of 1,2,3,3-tetramethylcyclobutene?
The InChIKey is KYLWWSSCPINBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6-5-8(3,4)7(6)2/h5H2,1-4H3.
What are the key properties of 1,2,3,3-tetramethylcyclobutene?
1,2,3,3-tetramethylcyclobutene has a molecular weight of 110.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethylcyclobutene is sourced from PubChem (CID 54020330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).