1-ethoxy-2-methylundec-1-ene

C14H28O — CID 175266518

IUPAC1-ethoxy-2-methylundec-1-ene
SMILESCCCCCCCCCC(C)=COCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-14(3)13-15-5-2/h13H,4-12H2,1-3H3
InChIKeyJORSIYSAQLXCHT-UHFFFAOYSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds10

About 1-ethoxy-2-methylundec-1-ene

1-ethoxy-2-methylundec-1-ene (PubChem CID 175266518) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethoxy-2-methylundec-1-ene.

Molecular Properties

Compound Name1-ethoxy-2-methylundec-1-ene
PubChem CID175266518
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-ethoxy-2-methylundec-1-ene
SMILESCCCCCCCCCC(C)=COCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-14(3)13-15-5-2/h13H,4-12H2,1-3H3
InChIKeyJORSIYSAQLXCHT-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.38
LogP ≤ 55.07
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-2-methylundec-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

Related Compounds

(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
2-(ethoxymethylidene)heptanoic acid
CID 173058397
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
4-methylheptadec-3-ene
CID 59169426
2-methylhept-1-en-1-ol
CID 141483452
6-methyldocos-6-ene
CID 629460
4-methylnona-1,3-diene
CID 71327710
(E)-9-methylnonadec-9-ene
CID 14783585
(E)-10-methylnonadec-9-ene
CID 5364653
7-methylhenicos-7-ene
CID 173033031

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylundec-1-ene?
The IUPAC name of 1-ethoxy-2-methylundec-1-ene (CID 175266518) is 1-ethoxy-2-methylundec-1-ene.
What is the SMILES notation for 1-ethoxy-2-methylundec-1-ene?
The canonical SMILES for 1-ethoxy-2-methylundec-1-ene is CCCCCCCCCC(C)=COCC.
What is the InChIKey of 1-ethoxy-2-methylundec-1-ene?
The InChIKey is JORSIYSAQLXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-14(3)13-15-5-2/h13H,4-12H2,1-3H3.
What are the key properties of 1-ethoxy-2-methylundec-1-ene?
1-ethoxy-2-methylundec-1-ene has a molecular weight of 212.38 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylundec-1-ene is sourced from PubChem (CID 175266518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).