1,2,3,3,4-Pentamethylcyclobutene

C9H16 — CID 54233969

IUPAC1,2,3,3,4-pentamethylcyclobutene
SMILESCC1C(=C(C1(C)C)C)C
InChIInChI=1S/C9H16/c1-6-7(2)9(4,5)8(6)3/h7H,1-5H3
InChIKeyQLFOEPTUOSEOBH-UHFFFAOYSA-N
MW124.22 g/mol
LogP2.40
Rot. Bonds

About 1,2,3,3,4-Pentamethylcyclobutene

1,2,3,3,4-Pentamethylcyclobutene (PubChem CID 54233969) has the molecular formula C9H16 and a molecular weight of 124.22 g/mol. Its IUPAC name is 1,2,3,3,4-pentamethylcyclobutene.

Molecular Properties

Compound Name1,2,3,3,4-Pentamethylcyclobutene
PubChem CID54233969
Molecular FormulaC9H16
Molecular Weight124.22 g/mol
Exact Mass124.13
IUPAC Name1,2,3,3,4-pentamethylcyclobutene
SMILESCC1C(=C(C1(C)C)C)C
InChIInChI=1S/C9H16/c1-6-7(2)9(4,5)8(6)3/h7H,1-5H3
InChIKeyQLFOEPTUOSEOBH-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity161

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.22
LogP ≤ 52.40
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-Pentamethylcyclobutene?
The IUPAC name of 1,2,3,3,4-Pentamethylcyclobutene (CID 54233969) is 1,2,3,3,4-pentamethylcyclobutene.
What is the SMILES notation for 1,2,3,3,4-Pentamethylcyclobutene?
The canonical SMILES for 1,2,3,3,4-Pentamethylcyclobutene is CC1C(=C(C1(C)C)C)C.
What is the InChIKey of 1,2,3,3,4-Pentamethylcyclobutene?
The InChIKey is QLFOEPTUOSEOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-6-7(2)9(4,5)8(6)3/h7H,1-5H3.
What are the key properties of 1,2,3,3,4-Pentamethylcyclobutene?
1,2,3,3,4-Pentamethylcyclobutene has a molecular weight of 124.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4-Pentamethylcyclobutene is sourced from PubChem (CID 54233969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).