1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene

C18H24 — CID 141041477

IUPAC1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene
SMILESCC1=CC(C)(c2c(C)cc(C)cc2C)CC(C)=C1
InChIInChI=1S/C18H24/c1-12-8-15(4)17(16(5)9-12)18(6)10-13(2)7-14(3)11-18/h7-10H,11H2,1-6H3
InChIKeyBTPGXKUXHDRPHS-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.17
Rot. Bonds1

About 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene

1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene (PubChem CID 141041477) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene
PubChem CID141041477
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene
SMILESCC1=CC(C)(c2c(C)cc(C)cc2C)CC(C)=C1
InChIInChI=1S/C18H24/c1-12-8-15(4)17(16(5)9-12)18(6)10-13(2)7-14(3)11-18/h7-10H,11H2,1-6H3
InChIKeyBTPGXKUXHDRPHS-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene 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

1,3,5,5-tetramethylcyclohexa-1,3-diene;1,3,5-trimethylbenzene
CID 157288182
2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzenesulfonyl chloride
CID 141071985
1,3,5-trimethylcyclohexa-2,4-diene-1-sulfonyl fluoride
CID 88606925
1,3,3',3',11',11',21',23',25'-nonamethylspiro[cyclohexa-1,3-diene-5,17'-heptacyclo[14.11.0.02,13.04,12.05,10.018,27.019,24]heptacosa-1(16),2(13),4(12),5,7,9,14,18(27),19,21,23,25-dodecaene]
CID 168815153
2,4,5,7,9a-pentamethyl-4a,9-dihydrothioxanthene 10,10-dioxide
CID 56696383
3,3,4,6-tetramethyl-2H-inden-1-one
CID 599679
1,3,5-trimethylcyclohexa-2,4-diene-1-sulfonamide
CID 141048188
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116842289
(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
CID 79838530
4,4-dimethyl-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 54076048
iron(2+);bis(1,3-xylene);dihexafluorophosphate
CID 139156518

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene (CID 141041477) is 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene is CC1=CC(C)(c2c(C)cc(C)cc2C)CC(C)=C1.
What is the InChIKey of 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is BTPGXKUXHDRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-12-8-15(4)17(16(5)9-12)18(6)10-13(2)7-14(3)11-18/h7-10H,11H2,1-6H3.
What are the key properties of 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene?
1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 240.39 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 141041477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).