ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene

C30H48 — CID 165392500

IUPACethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene
SMILESC=C/C=C(\C=C/CC)c1cc(C)cc(C(/C=C\C(C)C)=C/C=C)c1.CC.CC.CC
InChIInChI=1S/C24H30.3C2H6/c1-7-10-13-21(11-8-2)23-16-20(6)17-24(18-23)22(12-9-3)15-14-19(4)5;3*1-2/h8-19H,2-3,7H2,1,4-6H3;3*1-2H3/b13-10-,15-14-,21-11+,22-12+;;;
InChIKeyCYXIOQHNTCLCGR-MOLVAHPYSA-N
MW408.71 g/mol
LogP10.39
Rot. Bonds8

About ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene

ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene (PubChem CID 165392500) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene
PubChem CID165392500
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Nameethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene
SMILESC=C/C=C(\C=C/CC)c1cc(C)cc(C(/C=C\C(C)C)=C/C=C)c1.CC.CC.CC
InChIInChI=1S/C24H30.3C2H6/c1-7-10-13-21(11-8-2)23-16-20(6)17-24(18-23)22(12-9-3)15-14-19(4)5;3*1-2/h8-19H,2-3,7H2,1,4-6H3;3*1-2H3/b13-10-,15-14-,21-11+,22-12+;;;
InChIKeyCYXIOQHNTCLCGR-MOLVAHPYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene?
The IUPAC name of ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene (CID 165392500) is ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene.
What is the SMILES notation for ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene?
The canonical SMILES for ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene is C=C/C=C(\C=C/CC)c1cc(C)cc(C(/C=C\C(C)C)=C/C=C)c1.CC.CC.CC.
What is the InChIKey of ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene?
The InChIKey is CYXIOQHNTCLCGR-MOLVAHPYSA-N. The full InChI is InChI=1S/C24H30.3C2H6/c1-7-10-13-21(11-8-2)23-16-20(6)17-24(18-23)22(12-9-3)15-14-19(4)5;3*1-2/h8-19H,2-3,7H2,1,4-6H3;3*1-2H3/b13-10-,15-14-,21-11+,22-12+;;;.
What are the key properties of ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene?
ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene has a molecular weight of 408.71 g/mol, XLogP of 10.39, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-5-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene is sourced from PubChem (CID 165392500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).