2-undeca-2,5-diynoxyoxane

C16H24O2 — CID 555175

IUPAC2-undeca-2,5-diynoxyoxane
SMILESCCCCCC#CCC#CCOC1CCCCO1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h16H,2-5,8,10,12-15H2,1H3
InChIKeyKDASVSRIIQWISJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.51
Rot. Bonds5

About 2-undeca-2,5-diynoxyoxane

2-undeca-2,5-diynoxyoxane (PubChem CID 555175) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-undeca-2,5-diynoxyoxane.

Molecular Properties

Compound Name2-undeca-2,5-diynoxyoxane
PubChem CID555175
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-undeca-2,5-diynoxyoxane
SMILESCCCCCC#CCC#CCOC1CCCCO1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h16H,2-5,8,10,12-15H2,1H3
InChIKeyKDASVSRIIQWISJ-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-undeca-2,5-diynoxyoxane 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 2-undeca-2,5-diynoxyoxane?
The IUPAC name of 2-undeca-2,5-diynoxyoxane (CID 555175) is 2-undeca-2,5-diynoxyoxane.
What is the SMILES notation for 2-undeca-2,5-diynoxyoxane?
The canonical SMILES for 2-undeca-2,5-diynoxyoxane is CCCCCC#CCC#CCOC1CCCCO1.
What is the InChIKey of 2-undeca-2,5-diynoxyoxane?
The InChIKey is KDASVSRIIQWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h16H,2-5,8,10,12-15H2,1H3.
What are the key properties of 2-undeca-2,5-diynoxyoxane?
2-undeca-2,5-diynoxyoxane has a molecular weight of 248.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undeca-2,5-diynoxyoxane is sourced from PubChem (CID 555175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).