ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene

C22H38 — CID 142516496

IUPACethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene
SMILESCC.CCCCCCC/C(=C(/C)CCC)c1ccccc1C
InChIInChI=1S/C20H32.C2H6/c1-5-7-8-9-10-15-19(17(3)13-6-2)20-16-12-11-14-18(20)4;1-2/h11-12,14,16H,5-10,13,15H2,1-4H3;1-2H3/b19-17+;
InChIKeyJEQNZBGAPBRSLP-ZJSKVYKZSA-N
MW302.55 g/mol
LogP7.96
Rot. Bonds9

About ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene

ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene (PubChem CID 142516496) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene
PubChem CID142516496
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Nameethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene
SMILESCC.CCCCCCC/C(=C(/C)CCC)c1ccccc1C
InChIInChI=1S/C20H32.C2H6/c1-5-7-8-9-10-15-19(17(3)13-6-2)20-16-12-11-14-18(20)4;1-2/h11-12,14,16H,5-10,13,15H2,1-4H3;1-2H3/b19-17+;
InChIKeyJEQNZBGAPBRSLP-ZJSKVYKZSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-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-methyl-2-(2-methylhept-2-en-3-yl)benzene
CID 142356923
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-methylphenyl)dodecane-1,2-dione
CID 4661081
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
1-(3-decoxybut-2-en-2-yl)-2-methylbenzene
CID 150754471
cobalt;octanoic acid;1,2-xylene
CID 175075701
1-bromo-2-(1,1-dibromooct-1-en-2-yl)benzene
CID 101459435
(Z)-3-(2-methylphenyl)-2-propylhex-2-enal
CID 154824594

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene?
The IUPAC name of ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene (CID 142516496) is ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene.
What is the SMILES notation for ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene?
The canonical SMILES for ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene is CC.CCCCCCC/C(=C(/C)CCC)c1ccccc1C.
What is the InChIKey of ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene?
The InChIKey is JEQNZBGAPBRSLP-ZJSKVYKZSA-N. The full InChI is InChI=1S/C20H32.C2H6/c1-5-7-8-9-10-15-19(17(3)13-6-2)20-16-12-11-14-18(20)4;1-2/h11-12,14,16H,5-10,13,15H2,1-4H3;1-2H3/b19-17+;.
What are the key properties of ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene?
ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene has a molecular weight of 302.55 g/mol, XLogP of 7.96, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene is sourced from PubChem (CID 142516496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).