(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene

C13H18 — CID 144588079

IUPAC(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene
SMILESC=C/C=C(C=C)/C(C)=C(/C)C(=C)C
InChIInChI=1S/C13H18/c1-7-9-13(8-2)12(6)11(5)10(3)4/h7-9H,1-3H2,4-6H3/b12-11-,13-9+
InChIKeyOBPZXQJEZCFNKK-MOCJCDOWSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds4

About (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene

(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene (PubChem CID 144588079) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene
PubChem CID144588079
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene
SMILESC=C/C=C(C=C)/C(C)=C(/C)C(=C)C
InChIInChI=1S/C13H18/c1-7-9-13(8-2)12(6)11(5)10(3)4/h7-9H,1-3H2,4-6H3/b12-11-,13-9+
InChIKeyOBPZXQJEZCFNKK-MOCJCDOWSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene?
The IUPAC name of (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene (CID 144588079) is (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene is C=C/C=C(C=C)/C(C)=C(/C)C(=C)C.
What is the InChIKey of (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene?
The InChIKey is OBPZXQJEZCFNKK-MOCJCDOWSA-N. The full InChI is InChI=1S/C13H18/c1-7-9-13(8-2)12(6)11(5)10(3)4/h7-9H,1-3H2,4-6H3/b12-11-,13-9+.
What are the key properties of (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene?
(3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-ethenyl-2,3,4-trimethylocta-1,3,5,7-tetraene is sourced from PubChem (CID 144588079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).