1-(oxan-3-yl)pent-4-yn-1-ol

C10H16O2 — CID 63901178

IUPAC1-(oxan-3-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1CCCOC1
InChIInChI=1S/C10H16O2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h1,9-11H,3-8H2
InChIKeyBFKSTCZSIMQCSN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.19
Rot. Bonds3

About 1-(oxan-3-yl)pent-4-yn-1-ol

1-(oxan-3-yl)pent-4-yn-1-ol (PubChem CID 63901178) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(oxan-3-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(oxan-3-yl)pent-4-yn-1-ol
PubChem CID63901178
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(oxan-3-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1CCCOC1
InChIInChI=1S/C10H16O2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h1,9-11H,3-8H2
InChIKeyBFKSTCZSIMQCSN-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylpent-4-yn-1-ol
CID 63657478
1-(oxan-4-yl)pent-4-yn-1-ol
CID 63901173
1-cyclohexylpent-4-yn-1-ol
CID 63657295
3-hydroxy-3-(oxan-3-yl)propanenitrile
CID 79119299
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
CID 107135741
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
CID 107136109
1-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol
CID 164652637
1-(thiolan-3-yl)pent-4-yn-1-ol
CID 105098646

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(oxan-3-yl)pent-4-yn-1-ol (CID 63901178) is 1-(oxan-3-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(oxan-3-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(oxan-3-yl)pent-4-yn-1-ol is C#CCCC(O)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)pent-4-yn-1-ol?
The InChIKey is BFKSTCZSIMQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h1,9-11H,3-8H2.
What are the key properties of 1-(oxan-3-yl)pent-4-yn-1-ol?
1-(oxan-3-yl)pent-4-yn-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)pent-4-yn-1-ol is sourced from PubChem (CID 63901178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).