(5E)-3-ethylocta-1,5-diene

C10H18 — CID 5353002

IUPAC(5E)-3-ethylocta-1,5-diene
SMILESC=CC(CC)C/C=C/CC
InChIInChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5,7-8,10H,2,4,6,9H2,1,3H3/b8-7+
InChIKeyDXYBMKOHVHUXNV-BQYQJAHWSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds5

About (5E)-3-ethylocta-1,5-diene

(5E)-3-ethylocta-1,5-diene (PubChem CID 5353002) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (5E)-3-ethylocta-1,5-diene.

Molecular Properties

Compound Name(5E)-3-ethylocta-1,5-diene
PubChem CID5353002
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(5E)-3-ethylocta-1,5-diene
SMILESC=CC(CC)C/C=C/CC
InChIInChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5,7-8,10H,2,4,6,9H2,1,3H3/b8-7+
InChIKeyDXYBMKOHVHUXNV-BQYQJAHWSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
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)-3-ethylocta-1,5-diene?
The IUPAC name of (5E)-3-ethylocta-1,5-diene (CID 5353002) is (5E)-3-ethylocta-1,5-diene.
What is the SMILES notation for (5E)-3-ethylocta-1,5-diene?
The canonical SMILES for (5E)-3-ethylocta-1,5-diene is C=CC(CC)C/C=C/CC.
What is the InChIKey of (5E)-3-ethylocta-1,5-diene?
The InChIKey is DXYBMKOHVHUXNV-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5,7-8,10H,2,4,6,9H2,1,3H3/b8-7+.
What are the key properties of (5E)-3-ethylocta-1,5-diene?
(5E)-3-ethylocta-1,5-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethylocta-1,5-diene is sourced from PubChem (CID 5353002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).