1-ethoxy-4-methyldec-1-ene

C13H26O — CID 3023477

IUPAC1-ethoxy-4-methyldec-1-ene
SMILESCCCCCCC(C)CC=COCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-10-13(3)11-9-12-14-5-2/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyDOKCVINUNJXDFD-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.53
Rot. Bonds9

About 1-ethoxy-4-methyldec-1-ene

1-ethoxy-4-methyldec-1-ene (PubChem CID 3023477) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-ethoxy-4-methyldec-1-ene.

Molecular Properties

Compound Name1-ethoxy-4-methyldec-1-ene
PubChem CID3023477
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-ethoxy-4-methyldec-1-ene
SMILESCCCCCCC(C)CC=COCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-10-13(3)11-9-12-14-5-2/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyDOKCVINUNJXDFD-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.53
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'}

Analyze 1-ethoxy-4-methyldec-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 1-ethoxy-4-methyldec-1-ene?
The IUPAC name of 1-ethoxy-4-methyldec-1-ene (CID 3023477) is 1-ethoxy-4-methyldec-1-ene.
What is the SMILES notation for 1-ethoxy-4-methyldec-1-ene?
The canonical SMILES for 1-ethoxy-4-methyldec-1-ene is CCCCCCC(C)CC=COCC.
What is the InChIKey of 1-ethoxy-4-methyldec-1-ene?
The InChIKey is DOKCVINUNJXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-10-13(3)11-9-12-14-5-2/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of 1-ethoxy-4-methyldec-1-ene?
1-ethoxy-4-methyldec-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methyldec-1-ene is sourced from PubChem (CID 3023477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).