2,3,3,4-tetramethylcyclohepta-1,4-diene

C11H18 — CID 121218571

IUPAC2,3,3,4-tetramethylcyclohepta-1,4-diene
SMILESCC1=CCCC=C(C)C1(C)C
InChIInChI=1S/C11H18/c1-9-7-5-6-8-10(2)11(9,3)4/h7-8H,5-6H2,1-4H3
InChIKeySBWPTKYZOMUFAK-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds

About 2,3,3,4-tetramethylcyclohepta-1,4-diene

2,3,3,4-tetramethylcyclohepta-1,4-diene (PubChem CID 121218571) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2,3,3,4-tetramethylcyclohepta-1,4-diene.

Molecular Properties

Compound Name2,3,3,4-tetramethylcyclohepta-1,4-diene
PubChem CID121218571
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2,3,3,4-tetramethylcyclohepta-1,4-diene
SMILESCC1=CCCC=C(C)C1(C)C
InChIInChI=1S/C11H18/c1-9-7-5-6-8-10(2)11(9,3)4/h7-8H,5-6H2,1-4H3
InChIKeySBWPTKYZOMUFAK-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,3,4-tetramethylcyclohepta-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-dimethyl-6-propan-2-ylcyclohexene;ethane
CID 172575297
(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
(1E)-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)propan-2-one
CID 67892179
2-(1,2-dimethylcyclopent-2-en-1-yl)-2,4,5-trimethyl-1,3-dioxolane
CID 575288
[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
CID 175827956
2-ethenyl-1,1,3-trimethyl-5,6-dihydroindene
CID 144766027
1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
CID 70536981
1-ethynyl-2-methylcyclopent-2-en-1-ol
CID 166437842
2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
2,5-dimethyl-3H-furan-2-amine
CID 66616310

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethylcyclohepta-1,4-diene?
The IUPAC name of 2,3,3,4-tetramethylcyclohepta-1,4-diene (CID 121218571) is 2,3,3,4-tetramethylcyclohepta-1,4-diene.
What is the SMILES notation for 2,3,3,4-tetramethylcyclohepta-1,4-diene?
The canonical SMILES for 2,3,3,4-tetramethylcyclohepta-1,4-diene is CC1=CCCC=C(C)C1(C)C.
What is the InChIKey of 2,3,3,4-tetramethylcyclohepta-1,4-diene?
The InChIKey is SBWPTKYZOMUFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9-7-5-6-8-10(2)11(9,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3,3,4-tetramethylcyclohepta-1,4-diene?
2,3,3,4-tetramethylcyclohepta-1,4-diene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethylcyclohepta-1,4-diene is sourced from PubChem (CID 121218571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).