3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene

C18H26 — CID 144604694

IUPAC3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C/C.C=CC(C=C)=CC=C(C)C
InChIInChI=1S/C10H14.C8H12/c1-5-10(6-2)8-7-9(3)4;1-4-5-6-7-8(2)3/h5-8H,1-2H2,3-4H3;4-7H,2H2,1,3H3/b;5-4-,7-6-
InChIKeyNZAJPHCTVWFBOA-ZBRBURFXSA-N
MW242.41 g/mol
LogP5.95
Rot. Bonds5

About 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene

3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene (PubChem CID 144604694) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
PubChem CID144604694
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C/C.C=CC(C=C)=CC=C(C)C
InChIInChI=1S/C10H14.C8H12/c1-5-10(6-2)8-7-9(3)4;1-4-5-6-7-8(2)3/h5-8H,1-2H2,3-4H3;4-7H,2H2,1,3H3/b;5-4-,7-6-
InChIKeyNZAJPHCTVWFBOA-ZBRBURFXSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.95
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

2-methylhepta-1,3,5-triene
CID 54571604
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486
(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
octa-1,4,6-trien-3-one
CID 85299948
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
CID 144553948

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene?
The IUPAC name of 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene (CID 144604694) is 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene.
What is the SMILES notation for 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene?
The canonical SMILES for 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene is C=C(C)/C=C\C=C/C.C=CC(C=C)=CC=C(C)C.
What is the InChIKey of 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene?
The InChIKey is NZAJPHCTVWFBOA-ZBRBURFXSA-N. The full InChI is InChI=1S/C10H14.C8H12/c1-5-10(6-2)8-7-9(3)4;1-4-5-6-7-8(2)3/h5-8H,1-2H2,3-4H3;4-7H,2H2,1,3H3/b;5-4-,7-6-.
What are the key properties of 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene?
3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene has a molecular weight of 242.41 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 144604694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).