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

C15H26O3 — CID 86095981

IUPAC9-(oxan-2-yloxy)dec-2-yn-1-ol
SMILESCC(CCCCCC#CCO)OC1CCCCO1
InChIInChI=1S/C15H26O3/c1-14(18-15-11-7-9-13-17-15)10-6-4-2-3-5-8-12-16/h14-16H,2-4,6-7,9-13H2,1H3
InChIKeyPILSNSLHCNCGGI-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.86
Rot. Bonds7

About 9-(oxan-2-yloxy)dec-2-yn-1-ol

9-(oxan-2-yloxy)dec-2-yn-1-ol (PubChem CID 86095981) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 9-(oxan-2-yloxy)dec-2-yn-1-ol.

Molecular Properties

Compound Name9-(oxan-2-yloxy)dec-2-yn-1-ol
PubChem CID86095981
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name9-(oxan-2-yloxy)dec-2-yn-1-ol
SMILESCC(CCCCCC#CCO)OC1CCCCO1
InChIInChI=1S/C15H26O3/c1-14(18-15-11-7-9-13-17-15)10-6-4-2-3-5-8-12-16/h14-16H,2-4,6-7,9-13H2,1H3
InChIKeyPILSNSLHCNCGGI-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

(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334
(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
CID 71407763

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yloxy)dec-2-yn-1-ol?
The IUPAC name of 9-(oxan-2-yloxy)dec-2-yn-1-ol (CID 86095981) is 9-(oxan-2-yloxy)dec-2-yn-1-ol.
What is the SMILES notation for 9-(oxan-2-yloxy)dec-2-yn-1-ol?
The canonical SMILES for 9-(oxan-2-yloxy)dec-2-yn-1-ol is CC(CCCCCC#CCO)OC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yloxy)dec-2-yn-1-ol?
The InChIKey is PILSNSLHCNCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-14(18-15-11-7-9-13-17-15)10-6-4-2-3-5-8-12-16/h14-16H,2-4,6-7,9-13H2,1H3.
What are the key properties of 9-(oxan-2-yloxy)dec-2-yn-1-ol?
9-(oxan-2-yloxy)dec-2-yn-1-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 9-(oxan-2-yloxy)dec-2-yn-1-ol is sourced from PubChem (CID 86095981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).