(3Z)-4-ethoxyocta-1,3-diene

C10H18O — CID 101004520

IUPAC(3Z)-4-ethoxyocta-1,3-diene
SMILESC=C/C=C(/CCCC)OCC
InChIInChI=1S/C10H18O/c1-4-7-9-10(8-5-2)11-6-3/h5,8H,2,4,6-7,9H2,1,3H3/b10-8-
InChIKeyOKDAQBYMTLSARD-NTMALXAHSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds6

About (3Z)-4-ethoxyocta-1,3-diene

(3Z)-4-ethoxyocta-1,3-diene (PubChem CID 101004520) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3Z)-4-ethoxyocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethoxyocta-1,3-diene
PubChem CID101004520
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3Z)-4-ethoxyocta-1,3-diene
SMILESC=C/C=C(/CCCC)OCC
InChIInChI=1S/C10H18O/c1-4-7-9-10(8-5-2)11-6-3/h5,8H,2,4,6-7,9H2,1,3H3/b10-8-
InChIKeyOKDAQBYMTLSARD-NTMALXAHSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethoxyocta-1,3-diene?
The IUPAC name of (3Z)-4-ethoxyocta-1,3-diene (CID 101004520) is (3Z)-4-ethoxyocta-1,3-diene.
What is the SMILES notation for (3Z)-4-ethoxyocta-1,3-diene?
The canonical SMILES for (3Z)-4-ethoxyocta-1,3-diene is C=C/C=C(/CCCC)OCC.
What is the InChIKey of (3Z)-4-ethoxyocta-1,3-diene?
The InChIKey is OKDAQBYMTLSARD-NTMALXAHSA-N. The full InChI is InChI=1S/C10H18O/c1-4-7-9-10(8-5-2)11-6-3/h5,8H,2,4,6-7,9H2,1,3H3/b10-8-.
What are the key properties of (3Z)-4-ethoxyocta-1,3-diene?
(3Z)-4-ethoxyocta-1,3-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethoxyocta-1,3-diene is sourced from PubChem (CID 101004520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).