ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene

C17H24 — CID 144536414

IUPACethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C\C(=C(C)C)c1ccccc1C.CC
InChIInChI=1S/C15H18.C2H6/c1-5-6-10-14(12(2)3)15-11-8-7-9-13(15)4;1-2/h5-11H,1H2,2-4H3;1-2H3/b10-6-;
InChIKeyMIPCBJPIUROEJD-OTUCAILMSA-N
MW228.38 g/mol
LogP5.56
Rot. Bonds3

About ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene

ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene (PubChem CID 144536414) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene
PubChem CID144536414
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene
SMILESC=C/C=C\C(=C(C)C)c1ccccc1C.CC
InChIInChI=1S/C15H18.C2H6/c1-5-6-10-14(12(2)3)15-11-8-7-9-13(15)4;1-2/h5-11H,1H2,2-4H3;1-2H3/b10-6-;
InChIKeyMIPCBJPIUROEJD-OTUCAILMSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-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

3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane
CID 145196787
1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene
CID 143561828
1-bromo-2-[(2Z,4Z)-2-bromohepta-2,4,6-trien-3-yl]benzene
CID 177036030
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene?
The IUPAC name of ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene (CID 144536414) is ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene.
What is the SMILES notation for ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene?
The canonical SMILES for ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene is C=C/C=C\C(=C(C)C)c1ccccc1C.CC.
What is the InChIKey of ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene?
The InChIKey is MIPCBJPIUROEJD-OTUCAILMSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-5-6-10-14(12(2)3)15-11-8-7-9-13(15)4;1-2/h5-11H,1H2,2-4H3;1-2H3/b10-6-;.
What are the key properties of ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene?
ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene is sourced from PubChem (CID 144536414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).