11,11-dimethoxyundeca-1,7-diyne

C13H20O2 — CID 71405857

IUPAC11,11-dimethoxyundeca-1,7-diyne
SMILESC#CCCCCC#CCCC(OC)OC
InChIInChI=1S/C13H20O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h1,13H,5-8,11-12H2,2-3H3
InChIKeyIEPUVFBUNBSLKV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.58
Rot. Bonds7

About 11,11-dimethoxyundeca-1,7-diyne

11,11-dimethoxyundeca-1,7-diyne (PubChem CID 71405857) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 11,11-dimethoxyundeca-1,7-diyne.

Molecular Properties

Compound Name11,11-dimethoxyundeca-1,7-diyne
PubChem CID71405857
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name11,11-dimethoxyundeca-1,7-diyne
SMILESC#CCCCCC#CCCC(OC)OC
InChIInChI=1S/C13H20O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h1,13H,5-8,11-12H2,2-3H3
InChIKeyIEPUVFBUNBSLKV-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 11,11-dimethoxyundeca-1,7-diyne 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 11,11-dimethoxyundeca-1,7-diyne?
The IUPAC name of 11,11-dimethoxyundeca-1,7-diyne (CID 71405857) is 11,11-dimethoxyundeca-1,7-diyne.
What is the SMILES notation for 11,11-dimethoxyundeca-1,7-diyne?
The canonical SMILES for 11,11-dimethoxyundeca-1,7-diyne is C#CCCCCC#CCCC(OC)OC.
What is the InChIKey of 11,11-dimethoxyundeca-1,7-diyne?
The InChIKey is IEPUVFBUNBSLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h1,13H,5-8,11-12H2,2-3H3.
What are the key properties of 11,11-dimethoxyundeca-1,7-diyne?
11,11-dimethoxyundeca-1,7-diyne has a molecular weight of 208.30 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethoxyundeca-1,7-diyne is sourced from PubChem (CID 71405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).