1-chloro-2-ethoxy-6,6-dimethylundecane

C15H31ClO — CID 152693932

IUPAC1-chloro-2-ethoxy-6,6-dimethylundecane
SMILESCCCCCC(C)(C)CCCC(CCl)OCC
InChIInChI=1S/C15H31ClO/c1-5-7-8-11-15(3,4)12-9-10-14(13-16)17-6-2/h14H,5-13H2,1-4H3
InChIKeyZQDLZPAONSKIEO-UHFFFAOYSA-N
MW262.86 g/mol
LogP5.41
Rot. Bonds11

About 1-chloro-2-ethoxy-6,6-dimethylundecane

1-chloro-2-ethoxy-6,6-dimethylundecane (PubChem CID 152693932) has the molecular formula C15H31ClO and a molecular weight of 262.86 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-6,6-dimethylundecane.

Molecular Properties

Compound Name1-chloro-2-ethoxy-6,6-dimethylundecane
PubChem CID152693932
Molecular FormulaC15H31ClO
Molecular Weight262.86 g/mol
Exact Mass262.21
IUPAC Name1-chloro-2-ethoxy-6,6-dimethylundecane
SMILESCCCCCC(C)(C)CCCC(CCl)OCC
InChIInChI=1S/C15H31ClO/c1-5-7-8-11-15(3,4)12-9-10-14(13-16)17-6-2/h14H,5-13H2,1-4H3
InChIKeyZQDLZPAONSKIEO-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.86
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-ethoxy-6,6-dimethylundecane 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-chloro-2-ethoxy-6,6-dimethylundecane?
The IUPAC name of 1-chloro-2-ethoxy-6,6-dimethylundecane (CID 152693932) is 1-chloro-2-ethoxy-6,6-dimethylundecane.
What is the SMILES notation for 1-chloro-2-ethoxy-6,6-dimethylundecane?
The canonical SMILES for 1-chloro-2-ethoxy-6,6-dimethylundecane is CCCCCC(C)(C)CCCC(CCl)OCC.
What is the InChIKey of 1-chloro-2-ethoxy-6,6-dimethylundecane?
The InChIKey is ZQDLZPAONSKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClO/c1-5-7-8-11-15(3,4)12-9-10-14(13-16)17-6-2/h14H,5-13H2,1-4H3.
What are the key properties of 1-chloro-2-ethoxy-6,6-dimethylundecane?
1-chloro-2-ethoxy-6,6-dimethylundecane has a molecular weight of 262.86 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-6,6-dimethylundecane is sourced from PubChem (CID 152693932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).