(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene

C11H14 — CID 163402486

IUPAC(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
SMILESC=CC(C=C)=C/C=C/C(=C)C
InChIInChI=1S/C11H14/c1-5-11(6-2)9-7-8-10(3)4/h5-9H,1-3H2,4H3/b8-7+
InChIKeyUPTQJEKGVZXVJL-BQYQJAHWSA-N
MW146.23 g/mol
LogP3.42
Rot. Bonds4

About (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene

(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene (PubChem CID 163402486) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
PubChem CID163402486
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
SMILESC=CC(C=C)=C/C=C/C(=C)C
InChIInChI=1S/C11H14/c1-5-11(6-2)9-7-8-10(3)4/h5-9H,1-3H2,4H3/b8-7+
InChIKeyUPTQJEKGVZXVJL-BQYQJAHWSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.42
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

(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 144604694
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
2,6-dimethylhepta-2,4,6-trien-1-amine
CID 123608540
2-methylhepta-1,3,5-triene
CID 54571604
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
(3Z,5E)-6-methyl-2-methylideneocta-3,5,7-trien-1-amine
CID 143819016
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
CID 153376191

Frequently Asked Questions

What is the IUPAC name of (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene?
The IUPAC name of (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene (CID 163402486) is (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene?
The canonical SMILES for (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene is C=CC(C=C)=C/C=C/C(=C)C.
What is the InChIKey of (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene?
The InChIKey is UPTQJEKGVZXVJL-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14/c1-5-11(6-2)9-7-8-10(3)4/h5-9H,1-3H2,4H3/b8-7+.
What are the key properties of (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene?
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene has a molecular weight of 146.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene is sourced from PubChem (CID 163402486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).