5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol

C10H16O3 — CID 99460007

IUPAC5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
SMILESOCC#CCCO[C@H]1CCCCO1
InChIInChI=1S/C10H16O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10-11H,2,4-9H2/t10-/m1/s1
InChIKeyKFJFUCUVVHTXHH-SNVBAGLBSA-N
MW184.23 g/mol
LogP0.92
Rot. Bonds3

About 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol

5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol (PubChem CID 99460007) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol.

Molecular Properties

Compound Name5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
PubChem CID99460007
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
SMILESOCC#CCCO[C@H]1CCCCO1
InChIInChI=1S/C10H16O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10-11H,2,4-9H2/t10-/m1/s1
InChIKeyKFJFUCUVVHTXHH-SNVBAGLBSA-N
XLogP0.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.92
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

8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-hex-2-ynoxyoxane
CID 11041365
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol
CID 10635745
(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
CID 130694780
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol?
The IUPAC name of 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol (CID 99460007) is 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol.
What is the SMILES notation for 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol?
The canonical SMILES for 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol is OCC#CCCO[C@H]1CCCCO1.
What is the InChIKey of 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol?
The InChIKey is KFJFUCUVVHTXHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10-11H,2,4-9H2/t10-/m1/s1.
What are the key properties of 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol?
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol has a molecular weight of 184.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol is sourced from PubChem (CID 99460007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).