2-ethoxy-4-methylidenehex-1-ene

C9H16O — CID 89122824

IUPAC2-ethoxy-4-methylidenehex-1-ene
SMILESC=C(CC)CC(=C)OCC
InChIInChI=1S/C9H16O/c1-5-8(3)7-9(4)10-6-2/h3-7H2,1-2H3
InChIKeyJGRBUFCPPGMAED-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds5

About 2-ethoxy-4-methylidenehex-1-ene

2-ethoxy-4-methylidenehex-1-ene (PubChem CID 89122824) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethoxy-4-methylidenehex-1-ene.

Molecular Properties

Compound Name2-ethoxy-4-methylidenehex-1-ene
PubChem CID89122824
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethoxy-4-methylidenehex-1-ene
SMILESC=C(CC)CC(=C)OCC
InChIInChI=1S/C9H16O/c1-5-8(3)7-9(4)10-6-2/h3-7H2,1-2H3
InChIKeyJGRBUFCPPGMAED-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
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 2-ethoxy-4-methylidenehex-1-ene?
The IUPAC name of 2-ethoxy-4-methylidenehex-1-ene (CID 89122824) is 2-ethoxy-4-methylidenehex-1-ene.
What is the SMILES notation for 2-ethoxy-4-methylidenehex-1-ene?
The canonical SMILES for 2-ethoxy-4-methylidenehex-1-ene is C=C(CC)CC(=C)OCC.
What is the InChIKey of 2-ethoxy-4-methylidenehex-1-ene?
The InChIKey is JGRBUFCPPGMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-8(3)7-9(4)10-6-2/h3-7H2,1-2H3.
What are the key properties of 2-ethoxy-4-methylidenehex-1-ene?
2-ethoxy-4-methylidenehex-1-ene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylidenehex-1-ene is sourced from PubChem (CID 89122824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).