3-tert-butyl-3-methylcyclobutene

C9H16 — CID 12628174

IUPAC3-tert-butyl-3-methylcyclobutene
SMILESCC(C)(C)C1(C)C=CC1
InChIInChI=1S/C9H16/c1-8(2,3)9(4)6-5-7-9/h5-6H,7H2,1-4H3
InChIKeySZTDHGKBAJEGLU-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About 3-tert-butyl-3-methylcyclobutene

3-tert-butyl-3-methylcyclobutene (PubChem CID 12628174) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3-tert-butyl-3-methylcyclobutene.

Molecular Properties

Compound Name3-tert-butyl-3-methylcyclobutene
PubChem CID12628174
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3-tert-butyl-3-methylcyclobutene
SMILESCC(C)(C)C1(C)C=CC1
InChIInChI=1S/C9H16/c1-8(2,3)9(4)6-5-7-9/h5-6H,7H2,1-4H3
InChIKeySZTDHGKBAJEGLU-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
3,3,5-Trimethylcyclohexene
CID 79031
(Z,Z,Z)-1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene
CID 5368784
4-t-Pentylcyclohexene
CID 551432
4,4-Dimethylcyclohexene
CID 26445
3,4,5,5-Tetramethyl-2-hexene
CID 3016039
(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene
CID 163015063
Multifidene
CID 11040854
(1Z,5Z)-8,8-dimethyl-9-methylidenecycloundeca-1,5-diene
CID 21160273
3,4,4-Trimethylcyclohexene
CID 549334
1,3-Dimethyl-(m-xylene)
CID 10931498

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methylcyclobutene?
The IUPAC name of 3-tert-butyl-3-methylcyclobutene (CID 12628174) is 3-tert-butyl-3-methylcyclobutene.
What is the SMILES notation for 3-tert-butyl-3-methylcyclobutene?
The canonical SMILES for 3-tert-butyl-3-methylcyclobutene is CC(C)(C)C1(C)C=CC1.
What is the InChIKey of 3-tert-butyl-3-methylcyclobutene?
The InChIKey is SZTDHGKBAJEGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2,3)9(4)6-5-7-9/h5-6H,7H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methylcyclobutene?
3-tert-butyl-3-methylcyclobutene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methylcyclobutene is sourced from PubChem (CID 12628174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).