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

C10H18O — CID 11030048

IUPAC(3E)-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-CSKARUKUSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds6

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

(3E)-4-ethoxyocta-1,3-diene (PubChem CID 11030048) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3E)-4-ethoxyocta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-ethoxyocta-1,3-diene
PubChem CID11030048
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3E)-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-CSKARUKUSA-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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Related Compounds

1-Propoxycyclohex-1-ene
CID 20071904
1-Butoxycyclohexene
CID 21997072
(3Z)-4-ethoxyocta-1,3-diene
CID 101004520
6-Butyl-3,4-dihydro-2H-pyran
CID 12329637
1-Methoxyoctadien
CID 21873134
Octadienyl ethyl ether
CID 53818685
Methoxyoctadiene
CID 53887681
Dioctadienylether
CID 54395412
Isopropyloctadienyl ether
CID 54569500
2-Butyl-4,5-dihydrofuran
CID 86217936
2,3,4,5-Tetrahydrooxonine
CID 91012714
Tetrahydrooxonin
CID 118239361

Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethoxyocta-1,3-diene?
The IUPAC name of (3E)-4-ethoxyocta-1,3-diene (CID 11030048) is (3E)-4-ethoxyocta-1,3-diene.
What is the SMILES notation for (3E)-4-ethoxyocta-1,3-diene?
The canonical SMILES for (3E)-4-ethoxyocta-1,3-diene is C=C/C=C(\CCCC)OCC.
What is the InChIKey of (3E)-4-ethoxyocta-1,3-diene?
The InChIKey is OKDAQBYMTLSARD-CSKARUKUSA-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 (3E)-4-ethoxyocta-1,3-diene?
(3E)-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 (3E)-4-ethoxyocta-1,3-diene is sourced from PubChem (CID 11030048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).