ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene

C24H40O2 — CID 143292323

IUPACethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene
SMILESC=C/C(=C\C=C/C(C)C)C(C)(C)c1cc(OC)ccc1OC.CC.CC
InChIInChI=1S/C20H28O2.2C2H6/c1-8-16(11-9-10-15(2)3)20(4,5)18-14-17(21-6)12-13-19(18)22-7;2*1-2/h8-15H,1H2,2-7H3;2*1-2H3/b10-9-,16-11+;;
InChIKeyBUMGMPHAXFWODK-IMIQFAJWSA-N
MW360.58 g/mol
LogP7.36
Rot. Bonds7

About ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene

ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene (PubChem CID 143292323) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Nameethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene
PubChem CID143292323
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Nameethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene
SMILESC=C/C(=C\C=C/C(C)C)C(C)(C)c1cc(OC)ccc1OC.CC.CC
InChIInChI=1S/C20H28O2.2C2H6/c1-8-16(11-9-10-15(2)3)20(4,5)18-14-17(21-6)12-13-19(18)22-7;2*1-2/h8-15H,1H2,2-7H3;2*1-2H3/b10-9-,16-11+;;
InChIKeyBUMGMPHAXFWODK-IMIQFAJWSA-N
XLogP7.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene?
The IUPAC name of ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene (CID 143292323) is ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene.
What is the SMILES notation for ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene?
The canonical SMILES for ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene is C=C/C(=C\C=C/C(C)C)C(C)(C)c1cc(OC)ccc1OC.CC.CC.
What is the InChIKey of ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene?
The InChIKey is BUMGMPHAXFWODK-IMIQFAJWSA-N. The full InChI is InChI=1S/C20H28O2.2C2H6/c1-8-16(11-9-10-15(2)3)20(4,5)18-14-17(21-6)12-13-19(18)22-7;2*1-2/h8-15H,1H2,2-7H3;2*1-2H3/b10-9-,16-11+;;.
What are the key properties of ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene?
ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene has a molecular weight of 360.58 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene is sourced from PubChem (CID 143292323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).