3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene

C14H22 — CID 143923068

IUPAC3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene
SMILESCCC(C)CC1=CCC=C(C)C=C1C
InChIInChI=1S/C14H22/c1-5-11(2)10-14-8-6-7-12(3)9-13(14)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyLNTLXTRTTFSOBG-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds3

About 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene

3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene (PubChem CID 143923068) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene
PubChem CID143923068
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene
SMILESCCC(C)CC1=CCC=C(C)C=C1C
InChIInChI=1S/C14H22/c1-5-11(2)10-14-8-6-7-12(3)9-13(14)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyLNTLXTRTTFSOBG-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene 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

3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
CID 123372728
[3-methyl-1-[3-methyl-4-(5-methylcyclopenta-1,4-dien-1-yl)butan-2-yl]-2-phosphanylpentyl]phosphane
CID 166834428
1-(2-methylbutyl)cyclobutene
CID 123668229
2,5-dimethyl-3-(2-methylbutyl)pyrazine
CID 578818
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-(2-methylbutyl)-4-[4-[4-(2-methylbutyl)phenyl]buta-1,3-diynyl]benzene
CID 86002723
2-methoxy-5-(2-methylbutyl)cyclohexa-2,5-diene-1,4-dione
CID 53440755
3-(2-methylbutyl)-2H-azirine
CID 123420731
3-methyl-5-(2-methylbutyl)-1,2-oxazole
CID 89112070
3-methyl-4-[(4S)-4-methylhexyl]cyclohexa-2,4-diene-1-thiol
CID 89228152
1-(2-methylbutyl)cyclopenta-1,3-diene
CID 12615007

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene (CID 143923068) is 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene is CCC(C)CC1=CCC=C(C)C=C1C.
What is the InChIKey of 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene?
The InChIKey is LNTLXTRTTFSOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-11(2)10-14-8-6-7-12(3)9-13(14)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene?
3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143923068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).