(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene

C14H24 — CID 157075274

IUPAC(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene
SMILESC=C(C)/C(C)=C(\C)C(C)(C)C(C)=CC
InChIInChI=1S/C14H24/c1-9-11(4)14(7,8)13(6)12(5)10(2)3/h9H,2H2,1,3-8H3/b11-9?,13-12+
InChIKeyARWLAXRVQQEEMT-IAMQCISTSA-N
MW192.35 g/mol
LogP4.89
Rot. Bonds3

About (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene

(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene (PubChem CID 157075274) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene.

Molecular Properties

Compound Name(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene
PubChem CID157075274
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene
SMILESC=C(C)/C(C)=C(\C)C(C)(C)C(C)=CC
InChIInChI=1S/C14H24/c1-9-11(4)14(7,8)13(6)12(5)10(2)3/h9H,2H2,1,3-8H3/b11-9?,13-12+
InChIKeyARWLAXRVQQEEMT-IAMQCISTSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene?
The IUPAC name of (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene (CID 157075274) is (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene.
What is the SMILES notation for (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene?
The canonical SMILES for (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene is C=C(C)/C(C)=C(\C)C(C)(C)C(C)=CC.
What is the InChIKey of (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene?
The InChIKey is ARWLAXRVQQEEMT-IAMQCISTSA-N. The full InChI is InChI=1S/C14H24/c1-9-11(4)14(7,8)13(6)12(5)10(2)3/h9H,2H2,1,3-8H3/b11-9?,13-12+.
What are the key properties of (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene?
(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene has a molecular weight of 192.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene is sourced from PubChem (CID 157075274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).