8-(oxan-2-yloxy)oct-2-yn-1-ol

C13H22O3 — CID 20521626

IUPAC8-(oxan-2-yloxy)oct-2-yn-1-ol
SMILESOCC#CCCCCCOC1CCCCO1
InChIInChI=1S/C13H22O3/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13-14H,1-2,4-5,7-12H2
InChIKeyIJYKVSPBYVCHRH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.09
Rot. Bonds6

About 8-(oxan-2-yloxy)oct-2-yn-1-ol

8-(oxan-2-yloxy)oct-2-yn-1-ol (PubChem CID 20521626) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 8-(oxan-2-yloxy)oct-2-yn-1-ol.

Molecular Properties

Compound Name8-(oxan-2-yloxy)oct-2-yn-1-ol
PubChem CID20521626
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name8-(oxan-2-yloxy)oct-2-yn-1-ol
SMILESOCC#CCCCCCOC1CCCCO1
InChIInChI=1S/C13H22O3/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13-14H,1-2,4-5,7-12H2
InChIKeyIJYKVSPBYVCHRH-UHFFFAOYSA-N
XLogP2.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.09
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-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-(9-iodonon-8-ynoxy)oxane
CID 558907
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-2-yloxy)oct-2-yn-1-ol?
The IUPAC name of 8-(oxan-2-yloxy)oct-2-yn-1-ol (CID 20521626) is 8-(oxan-2-yloxy)oct-2-yn-1-ol.
What is the SMILES notation for 8-(oxan-2-yloxy)oct-2-yn-1-ol?
The canonical SMILES for 8-(oxan-2-yloxy)oct-2-yn-1-ol is OCC#CCCCCCOC1CCCCO1.
What is the InChIKey of 8-(oxan-2-yloxy)oct-2-yn-1-ol?
The InChIKey is IJYKVSPBYVCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13-14H,1-2,4-5,7-12H2.
What are the key properties of 8-(oxan-2-yloxy)oct-2-yn-1-ol?
8-(oxan-2-yloxy)oct-2-yn-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-2-yloxy)oct-2-yn-1-ol is sourced from PubChem (CID 20521626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).