ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene

C21H32 — CID 145135826

IUPACethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene
SMILESC=C/C(=C\C(C)=C/C)C(C)Cc1ccc(C)c(C)c1.CC
InChIInChI=1S/C19H26.C2H6/c1-7-14(3)11-19(8-2)17(6)13-18-10-9-15(4)16(5)12-18;1-2/h7-12,17H,2,13H2,1,3-6H3;1-2H3/b14-7-,19-11+;
InChIKeyDCUAXOJBTIDZBW-XLCYLVPXSA-N
MW284.49 g/mol
LogP6.59
Rot. Bonds5

About ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene

ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene (PubChem CID 145135826) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Nameethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene
PubChem CID145135826
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Nameethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene
SMILESC=C/C(=C\C(C)=C/C)C(C)Cc1ccc(C)c(C)c1.CC
InChIInChI=1S/C19H26.C2H6/c1-7-14(3)11-19(8-2)17(6)13-18-10-9-15(4)16(5)12-18;1-2/h7-12,17H,2,13H2,1,3-6H3;1-2H3/b14-7-,19-11+;
InChIKeyDCUAXOJBTIDZBW-XLCYLVPXSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;(1E)-2-[1-(3,4-dimethylphenyl)propan-2-yl]buta-1,3-diene-1-thiol;ethane
CID 145135868
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol
CID 115817129
(3Z)-4,6-dimethylhepta-1,3,5-triene;ethane;4-ethyl-1,2-dimethylbenzene
CID 170619616
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene?
The IUPAC name of ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene (CID 145135826) is ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene.
What is the SMILES notation for ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene?
The canonical SMILES for ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene is C=C/C(=C\C(C)=C/C)C(C)Cc1ccc(C)c(C)c1.CC.
What is the InChIKey of ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene?
The InChIKey is DCUAXOJBTIDZBW-XLCYLVPXSA-N. The full InChI is InChI=1S/C19H26.C2H6/c1-7-14(3)11-19(8-2)17(6)13-18-10-9-15(4)16(5)12-18;1-2/h7-12,17H,2,13H2,1,3-6H3;1-2H3/b14-7-,19-11+;.
What are the key properties of ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene?
ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene has a molecular weight of 284.49 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]-1,2-dimethylbenzene is sourced from PubChem (CID 145135826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).