8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol

C18H25NO3 — CID 11779758

IUPAC8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol
SMILESOC(CC#Cc1cccnc1)CCCCOC1CCCCO1
InChIInChI=1S/C18H25NO3/c20-17(10-5-7-16-8-6-12-19-15-16)9-1-3-13-21-18-11-2-4-14-22-18/h6,8,12,15,17-18,20H,1-4,9-11,13-14H2
InChIKeyIECVUEDTJOQNPW-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.90
Rot. Bonds7

About 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol

8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol (PubChem CID 11779758) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol.

Molecular Properties

Compound Name8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol
PubChem CID11779758
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol
SMILESOC(CC#Cc1cccnc1)CCCCOC1CCCCO1
InChIInChI=1S/C18H25NO3/c20-17(10-5-7-16-8-6-12-19-15-16)9-1-3-13-21-18-11-2-4-14-22-18/h6,8,12,15,17-18,20H,1-4,9-11,13-14H2
InChIKeyIECVUEDTJOQNPW-UHFFFAOYSA-N
XLogP2.90
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine
CID 10851984
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
2-(6-methylheptoxy)oxane
CID 139685112
CID 161088748
CID 161088748
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
CID 125494842
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol?
The IUPAC name of 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol (CID 11779758) is 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol.
What is the SMILES notation for 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol?
The canonical SMILES for 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol is OC(CC#Cc1cccnc1)CCCCOC1CCCCO1.
What is the InChIKey of 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol?
The InChIKey is IECVUEDTJOQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(10-5-7-16-8-6-12-19-15-16)9-1-3-13-21-18-11-2-4-14-22-18/h6,8,12,15,17-18,20H,1-4,9-11,13-14H2.
What are the key properties of 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol?
8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol has a molecular weight of 303.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol is sourced from PubChem (CID 11779758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).