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

C11H20O — CID 24976419

IUPAC(3E)-3-(ethoxymethylidene)oct-1-ene
SMILESC=C/C(=C/OCC)CCCCC
InChIInChI=1S/C11H20O/c1-4-7-8-9-11(5-2)10-12-6-3/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyHZXZCZQGXXIKLN-KHPPLWFESA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds7

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

(3E)-3-(ethoxymethylidene)oct-1-ene (PubChem CID 24976419) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-3-(ethoxymethylidene)oct-1-ene.

Molecular Properties

Compound Name(3E)-3-(ethoxymethylidene)oct-1-ene
PubChem CID24976419
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E)-3-(ethoxymethylidene)oct-1-ene
SMILESC=C/C(=C/OCC)CCCCC
InChIInChI=1S/C11H20O/c1-4-7-8-9-11(5-2)10-12-6-3/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyHZXZCZQGXXIKLN-KHPPLWFESA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-(ethoxymethylidene)oct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(ethoxymethylidene)oct-1-ene?
The IUPAC name of (3E)-3-(ethoxymethylidene)oct-1-ene (CID 24976419) is (3E)-3-(ethoxymethylidene)oct-1-ene.
What is the SMILES notation for (3E)-3-(ethoxymethylidene)oct-1-ene?
The canonical SMILES for (3E)-3-(ethoxymethylidene)oct-1-ene is C=C/C(=C/OCC)CCCCC.
What is the InChIKey of (3E)-3-(ethoxymethylidene)oct-1-ene?
The InChIKey is HZXZCZQGXXIKLN-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-8-9-11(5-2)10-12-6-3/h5,10H,2,4,6-9H2,1,3H3/b11-10-.
What are the key properties of (3E)-3-(ethoxymethylidene)oct-1-ene?
(3E)-3-(ethoxymethylidene)oct-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(ethoxymethylidene)oct-1-ene is sourced from PubChem (CID 24976419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).