1-(oxan-2-yloxy)dec-2-yn-4-ol

C15H26O3 — CID 10944981

IUPAC1-(oxan-2-yloxy)dec-2-yn-4-ol
SMILESCCCCCCC(O)C#CCOC1CCCCO1
InChIInChI=1S/C15H26O3/c1-2-3-4-5-9-14(16)10-8-13-18-15-11-6-7-12-17-15/h14-16H,2-7,9,11-13H2,1H3
InChIKeyQBTSXUNWBKZLIG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.86
Rot. Bonds7

About 1-(oxan-2-yloxy)dec-2-yn-4-ol

1-(oxan-2-yloxy)dec-2-yn-4-ol (PubChem CID 10944981) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)dec-2-yn-4-ol.

Molecular Properties

Compound Name1-(oxan-2-yloxy)dec-2-yn-4-ol
PubChem CID10944981
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-(oxan-2-yloxy)dec-2-yn-4-ol
SMILESCCCCCCC(O)C#CCOC1CCCCO1
InChIInChI=1S/C15H26O3/c1-2-3-4-5-9-14(16)10-8-13-18-15-11-6-7-12-17-15/h14-16H,2-7,9,11-13H2,1H3
InChIKeyQBTSXUNWBKZLIG-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
2-hex-2-ynoxyoxane
CID 11041365
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-octacosoxyoxane
CID 11214102
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
CID 125494842
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(1R)-1-[(4S,5S)-5-[(1R)-1-hydroxy-4-(oxan-2-yloxy)but-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(oxan-2-yloxy)but-2-yn-1-ol
CID 11201462
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
2-(10-bromotetradecoxy)oxane
CID 23365986
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol
CID 59990282

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)dec-2-yn-4-ol?
The IUPAC name of 1-(oxan-2-yloxy)dec-2-yn-4-ol (CID 10944981) is 1-(oxan-2-yloxy)dec-2-yn-4-ol.
What is the SMILES notation for 1-(oxan-2-yloxy)dec-2-yn-4-ol?
The canonical SMILES for 1-(oxan-2-yloxy)dec-2-yn-4-ol is CCCCCCC(O)C#CCOC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yloxy)dec-2-yn-4-ol?
The InChIKey is QBTSXUNWBKZLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-3-4-5-9-14(16)10-8-13-18-15-11-6-7-12-17-15/h14-16H,2-7,9,11-13H2,1H3.
What are the key properties of 1-(oxan-2-yloxy)dec-2-yn-4-ol?
1-(oxan-2-yloxy)dec-2-yn-4-ol has a molecular weight of 254.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxy)dec-2-yn-4-ol is sourced from PubChem (CID 10944981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).