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

C9H14OS — CID 105098646

IUPAC1-(thiolan-3-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1CCSC1
InChIInChI=1S/C9H14OS/c1-2-3-4-9(10)8-5-6-11-7-8/h1,8-10H,3-7H2
InChIKeyFCQOXRUELUTZFE-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.51
Rot. Bonds3

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

1-(thiolan-3-yl)pent-4-yn-1-ol (PubChem CID 105098646) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(thiolan-3-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(thiolan-3-yl)pent-4-yn-1-ol
PubChem CID105098646
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-(thiolan-3-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1CCSC1
InChIInChI=1S/C9H14OS/c1-2-3-4-9(10)8-5-6-11-7-8/h1,8-10H,3-7H2
InChIKeyFCQOXRUELUTZFE-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.51
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-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
1-cyclopentylpent-4-yn-1-ol
CID 63657478
1-cyclohexylpent-4-yn-1-ol
CID 63657295
1-(oxan-4-yl)pent-4-yn-1-ol
CID 63901173
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-(thiolan-3-yl)hex-5-ynylhydrazine
CID 105333543
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-ol
CID 112680933
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032
1-(oxan-3-yl)pent-4-yn-1-ol
CID 63901178
1-(thian-3-yl)butan-1-ol
CID 130518370

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(thiolan-3-yl)pent-4-yn-1-ol (CID 105098646) is 1-(thiolan-3-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(thiolan-3-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(thiolan-3-yl)pent-4-yn-1-ol is C#CCCC(O)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)pent-4-yn-1-ol?
The InChIKey is FCQOXRUELUTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-2-3-4-9(10)8-5-6-11-7-8/h1,8-10H,3-7H2.
What are the key properties of 1-(thiolan-3-yl)pent-4-yn-1-ol?
1-(thiolan-3-yl)pent-4-yn-1-ol has a molecular weight of 170.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)pent-4-yn-1-ol is sourced from PubChem (CID 105098646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).