1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene

C16H20 — CID 143848245

IUPAC1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene
SMILESCCC1C=CC(c2cccc(C)c2)=C[C@H]1C
InChIInChI=1S/C16H20/c1-4-14-8-9-16(11-13(14)3)15-7-5-6-12(2)10-15/h5-11,13-14H,4H2,1-3H3/t13-,14?/m1/s1
InChIKeyFSOSZNXXTATZPG-KWCCSABGSA-N
MW212.34 g/mol
LogP4.61
Rot. Bonds2

About 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene

1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene (PubChem CID 143848245) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene
PubChem CID143848245
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene
SMILESCCC1C=CC(c2cccc(C)c2)=C[C@H]1C
InChIInChI=1S/C16H20/c1-4-14-8-9-16(11-13(14)3)15-7-5-6-12(2)10-15/h5-11,13-14H,4H2,1-3H3/t13-,14?/m1/s1
InChIKeyFSOSZNXXTATZPG-KWCCSABGSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene 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

5,5-dibromo-6-methyl-2-(3-methylphenyl)cyclohexa-1,3-diene
CID 141426196
5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene
CID 143688466
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethylphosphane;3-(3-methylphenyl)pyridine
CID 144632052
butane;4-(3-methylphenyl)pyridine
CID 155692257
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
ethane;propane;1,3-xylene
CID 144528046
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene?
The IUPAC name of 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene (CID 143848245) is 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene.
What is the SMILES notation for 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene?
The canonical SMILES for 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene is CCC1C=CC(c2cccc(C)c2)=C[C@H]1C.
What is the InChIKey of 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene?
The InChIKey is FSOSZNXXTATZPG-KWCCSABGSA-N. The full InChI is InChI=1S/C16H20/c1-4-14-8-9-16(11-13(14)3)15-7-5-6-12(2)10-15/h5-11,13-14H,4H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene?
1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene is sourced from PubChem (CID 143848245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).