2-[(5S)-dec-1-yn-5-yl]oxyoxane

C15H26O2 — CID 11149121

IUPAC2-[(5S)-dec-1-yn-5-yl]oxyoxane
SMILESC#CCC[C@H](CCCCC)OC1CCCCO1
InChIInChI=1S/C15H26O2/c1-3-5-7-11-14(10-6-4-2)17-15-12-8-9-13-16-15/h2,14-15H,3,5-13H2,1H3/t14-,15?/m1/s1
InChIKeyRXFVLXNCIATBOG-GICMACPYSA-N
MW238.37 g/mol
LogP3.89
Rot. Bonds8

About 2-[(5S)-dec-1-yn-5-yl]oxyoxane

2-[(5S)-dec-1-yn-5-yl]oxyoxane (PubChem CID 11149121) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(5S)-dec-1-yn-5-yl]oxyoxane.

Molecular Properties

Compound Name2-[(5S)-dec-1-yn-5-yl]oxyoxane
PubChem CID11149121
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(5S)-dec-1-yn-5-yl]oxyoxane
SMILESC#CCC[C@H](CCCCC)OC1CCCCO1
InChIInChI=1S/C15H26O2/c1-3-5-7-11-14(10-6-4-2)17-15-12-8-9-13-16-15/h2,14-15H,3,5-13H2,1H3/t14-,15?/m1/s1
InChIKeyRXFVLXNCIATBOG-GICMACPYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.89
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-[(5S)-dec-1-yn-5-yl]oxyoxane 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-[(5S)-dec-1-yn-5-yl]oxyoxane?
The IUPAC name of 2-[(5S)-dec-1-yn-5-yl]oxyoxane (CID 11149121) is 2-[(5S)-dec-1-yn-5-yl]oxyoxane.
What is the SMILES notation for 2-[(5S)-dec-1-yn-5-yl]oxyoxane?
The canonical SMILES for 2-[(5S)-dec-1-yn-5-yl]oxyoxane is C#CCC[C@H](CCCCC)OC1CCCCO1.
What is the InChIKey of 2-[(5S)-dec-1-yn-5-yl]oxyoxane?
The InChIKey is RXFVLXNCIATBOG-GICMACPYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-7-11-14(10-6-4-2)17-15-12-8-9-13-16-15/h2,14-15H,3,5-13H2,1H3/t14-,15?/m1/s1.
What are the key properties of 2-[(5S)-dec-1-yn-5-yl]oxyoxane?
2-[(5S)-dec-1-yn-5-yl]oxyoxane has a molecular weight of 238.37 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-dec-1-yn-5-yl]oxyoxane is sourced from PubChem (CID 11149121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).