3-ethyl-4-methoxyoct-3-ene

C11H22O — CID 134921669

IUPAC3-ethyl-4-methoxyoct-3-ene
SMILESCCCCC(OC)=C(CC)CC
InChIInChI=1S/C11H22O/c1-5-8-9-11(12-4)10(6-2)7-3/h5-9H2,1-4H3
InChIKeyPWPMCIVWQONQAN-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.90
Rot. Bonds6

About 3-ethyl-4-methoxyoct-3-ene

3-ethyl-4-methoxyoct-3-ene (PubChem CID 134921669) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-ethyl-4-methoxyoct-3-ene.

Molecular Properties

Compound Name3-ethyl-4-methoxyoct-3-ene
PubChem CID134921669
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-ethyl-4-methoxyoct-3-ene
SMILESCCCCC(OC)=C(CC)CC
InChIInChI=1S/C11H22O/c1-5-8-9-11(12-4)10(6-2)7-3/h5-9H2,1-4H3
InChIKeyPWPMCIVWQONQAN-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxyoct-3-ene?
The IUPAC name of 3-ethyl-4-methoxyoct-3-ene (CID 134921669) is 3-ethyl-4-methoxyoct-3-ene.
What is the SMILES notation for 3-ethyl-4-methoxyoct-3-ene?
The canonical SMILES for 3-ethyl-4-methoxyoct-3-ene is CCCCC(OC)=C(CC)CC.
What is the InChIKey of 3-ethyl-4-methoxyoct-3-ene?
The InChIKey is PWPMCIVWQONQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-8-9-11(12-4)10(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of 3-ethyl-4-methoxyoct-3-ene?
3-ethyl-4-methoxyoct-3-ene has a molecular weight of 170.30 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxyoct-3-ene is sourced from PubChem (CID 134921669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).