(3E)-3-(ethoxymethylidene)hex-1-ene

C9H16O — CID 13495212

IUPAC(3E)-3-(ethoxymethylidene)hex-1-ene
SMILESC=C/C(=C/OCC)CCC
InChIInChI=1S/C9H16O/c1-4-7-9(5-2)8-10-6-3/h5,8H,2,4,6-7H2,1,3H3/b9-8-
InChIKeyFMLMOWHQUHGYHJ-HJWRWDBZSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds5

About (3E)-3-(ethoxymethylidene)hex-1-ene

(3E)-3-(ethoxymethylidene)hex-1-ene (PubChem CID 13495212) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-3-(ethoxymethylidene)hex-1-ene.

Molecular Properties

Compound Name(3E)-3-(ethoxymethylidene)hex-1-ene
PubChem CID13495212
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-3-(ethoxymethylidene)hex-1-ene
SMILESC=C/C(=C/OCC)CCC
InChIInChI=1S/C9H16O/c1-4-7-9(5-2)8-10-6-3/h5,8H,2,4,6-7H2,1,3H3/b9-8-
InChIKeyFMLMOWHQUHGYHJ-HJWRWDBZSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(ethoxymethylidene)hex-1-ene?
The IUPAC name of (3E)-3-(ethoxymethylidene)hex-1-ene (CID 13495212) is (3E)-3-(ethoxymethylidene)hex-1-ene.
What is the SMILES notation for (3E)-3-(ethoxymethylidene)hex-1-ene?
The canonical SMILES for (3E)-3-(ethoxymethylidene)hex-1-ene is C=C/C(=C/OCC)CCC.
What is the InChIKey of (3E)-3-(ethoxymethylidene)hex-1-ene?
The InChIKey is FMLMOWHQUHGYHJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-9(5-2)8-10-6-3/h5,8H,2,4,6-7H2,1,3H3/b9-8-.
What are the key properties of (3E)-3-(ethoxymethylidene)hex-1-ene?
(3E)-3-(ethoxymethylidene)hex-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 (3E)-3-(ethoxymethylidene)hex-1-ene is sourced from PubChem (CID 13495212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).