ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene

C27H34 — CID 143084783

IUPACethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
SMILESCC.Cc1ccc(/C(=C/C2=CCC(C)C=C2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H28.C2H6/c1-18(2)22-13-15-24(16-14-22)25(23-11-7-20(4)8-12-23)17-21-9-5-19(3)6-10-21;1-2/h5,7-19H,6H2,1-4H3;1-2H3/b25-17-;
InChIKeyOTIVCCJMLWHHDU-JVKBBZCWSA-N
MW358.57 g/mol
LogP8.10
Rot. Bonds4

About ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene

ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene (PubChem CID 143084783) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
PubChem CID143084783
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Nameethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
SMILESCC.Cc1ccc(/C(=C/C2=CCC(C)C=C2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H28.C2H6/c1-18(2)22-13-15-24(16-14-22)25(23-11-7-20(4)8-12-23)17-21-9-5-19(3)6-10-21;1-2/h5,7-19H,6H2,1-4H3;1-2H3/b25-17-;
InChIKeyOTIVCCJMLWHHDU-JVKBBZCWSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]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

(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
ethane;(4-propan-2-ylphenyl)oxidanium;1,4-xylene
CID 163240911
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine
CID 126723388
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
[(1E,3E)-4-[(4R)-4-methylcyclohexa-1,5-diene-1-carbonyl]oxyhexa-1,3,5-trienyl] 4-methylbenzoate
CID 170928665
1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
CID 54597344
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene?
The IUPAC name of ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene (CID 143084783) is ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene is CC.Cc1ccc(/C(=C/C2=CCC(C)C=C2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene?
The InChIKey is OTIVCCJMLWHHDU-JVKBBZCWSA-N. The full InChI is InChI=1S/C25H28.C2H6/c1-18(2)22-13-15-24(16-14-22)25(23-11-7-20(4)8-12-23)17-21-9-5-19(3)6-10-21;1-2/h5,7-19H,6H2,1-4H3;1-2H3/b25-17-;.
What are the key properties of ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene?
ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene has a molecular weight of 358.57 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene is sourced from PubChem (CID 143084783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).