(1E)-1-(2-methoxyethoxy)cyclododecene

C15H28O2 — CID 70477690

IUPAC(1E)-1-(2-methoxyethoxy)cyclododecene
SMILESCOCCO/C1=C/CCCCCCCCCC1
InChIInChI=1S/C15H28O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h11H,2-10,12-14H2,1H3/b15-11+
InChIKeyHRRBCHKVXKFLBW-RVDMUPIBSA-N
MW240.39 g/mol
LogP4.45
Rot. Bonds4

About (1E)-1-(2-methoxyethoxy)cyclododecene

(1E)-1-(2-methoxyethoxy)cyclododecene (PubChem CID 70477690) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1E)-1-(2-methoxyethoxy)cyclododecene.

Molecular Properties

Compound Name(1E)-1-(2-methoxyethoxy)cyclododecene
PubChem CID70477690
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1E)-1-(2-methoxyethoxy)cyclododecene
SMILESCOCCO/C1=C/CCCCCCCCCC1
InChIInChI=1S/C15H28O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h11H,2-10,12-14H2,1H3/b15-11+
InChIKeyHRRBCHKVXKFLBW-RVDMUPIBSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1E)-1-(2-methoxyethoxy)cyclododecene 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 (1E)-1-(2-methoxyethoxy)cyclododecene?
The IUPAC name of (1E)-1-(2-methoxyethoxy)cyclododecene (CID 70477690) is (1E)-1-(2-methoxyethoxy)cyclododecene.
What is the SMILES notation for (1E)-1-(2-methoxyethoxy)cyclododecene?
The canonical SMILES for (1E)-1-(2-methoxyethoxy)cyclododecene is COCCO/C1=C/CCCCCCCCCC1.
What is the InChIKey of (1E)-1-(2-methoxyethoxy)cyclododecene?
The InChIKey is HRRBCHKVXKFLBW-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H28O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h11H,2-10,12-14H2,1H3/b15-11+.
What are the key properties of (1E)-1-(2-methoxyethoxy)cyclododecene?
(1E)-1-(2-methoxyethoxy)cyclododecene has a molecular weight of 240.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-methoxyethoxy)cyclododecene is sourced from PubChem (CID 70477690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).