(2Z)-6-ethoxyocta-2,5-diene

C10H18O — CID 143636508

IUPAC(2Z)-6-ethoxyocta-2,5-diene
SMILESC/C=C\CC=C(CC)OCC
InChIInChI=1S/C10H18O/c1-4-7-8-9-10(5-2)11-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4-,10-9?
InChIKeyXIWMJOHOIVRKOU-KTDBKOFCSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds5

About (2Z)-6-ethoxyocta-2,5-diene

(2Z)-6-ethoxyocta-2,5-diene (PubChem CID 143636508) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2Z)-6-ethoxyocta-2,5-diene.

Molecular Properties

Compound Name(2Z)-6-ethoxyocta-2,5-diene
PubChem CID143636508
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2Z)-6-ethoxyocta-2,5-diene
SMILESC/C=C\CC=C(CC)OCC
InChIInChI=1S/C10H18O/c1-4-7-8-9-10(5-2)11-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4-,10-9?
InChIKeyXIWMJOHOIVRKOU-KTDBKOFCSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethoxyocta-2,5-diene?
The IUPAC name of (2Z)-6-ethoxyocta-2,5-diene (CID 143636508) is (2Z)-6-ethoxyocta-2,5-diene.
What is the SMILES notation for (2Z)-6-ethoxyocta-2,5-diene?
The canonical SMILES for (2Z)-6-ethoxyocta-2,5-diene is C/C=C\CC=C(CC)OCC.
What is the InChIKey of (2Z)-6-ethoxyocta-2,5-diene?
The InChIKey is XIWMJOHOIVRKOU-KTDBKOFCSA-N. The full InChI is InChI=1S/C10H18O/c1-4-7-8-9-10(5-2)11-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4-,10-9?.
What are the key properties of (2Z)-6-ethoxyocta-2,5-diene?
(2Z)-6-ethoxyocta-2,5-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-ethoxyocta-2,5-diene is sourced from PubChem (CID 143636508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).