(5E)-4,4,6-trimethylocta-1,5-diene

C11H20 — CID 173435548

IUPAC(5E)-4,4,6-trimethylocta-1,5-diene
SMILESC=CCC(C)(C)/C=C(\C)CC
InChIInChI=1S/C11H20/c1-6-8-11(4,5)9-10(3)7-2/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeySZXJSCUQGCYKCB-MDZDMXLPSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds4

About (5E)-4,4,6-trimethylocta-1,5-diene

(5E)-4,4,6-trimethylocta-1,5-diene (PubChem CID 173435548) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (5E)-4,4,6-trimethylocta-1,5-diene.

Molecular Properties

Compound Name(5E)-4,4,6-trimethylocta-1,5-diene
PubChem CID173435548
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(5E)-4,4,6-trimethylocta-1,5-diene
SMILESC=CCC(C)(C)/C=C(\C)CC
InChIInChI=1S/C11H20/c1-6-8-11(4,5)9-10(3)7-2/h6,9H,1,7-8H2,2-5H3/b10-9+
InChIKeySZXJSCUQGCYKCB-MDZDMXLPSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-4,4,6-trimethylocta-1,5-diene?
The IUPAC name of (5E)-4,4,6-trimethylocta-1,5-diene (CID 173435548) is (5E)-4,4,6-trimethylocta-1,5-diene.
What is the SMILES notation for (5E)-4,4,6-trimethylocta-1,5-diene?
The canonical SMILES for (5E)-4,4,6-trimethylocta-1,5-diene is C=CCC(C)(C)/C=C(\C)CC.
What is the InChIKey of (5E)-4,4,6-trimethylocta-1,5-diene?
The InChIKey is SZXJSCUQGCYKCB-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20/c1-6-8-11(4,5)9-10(3)7-2/h6,9H,1,7-8H2,2-5H3/b10-9+.
What are the key properties of (5E)-4,4,6-trimethylocta-1,5-diene?
(5E)-4,4,6-trimethylocta-1,5-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4,4,6-trimethylocta-1,5-diene is sourced from PubChem (CID 173435548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).