5-(2H-thiopyran-3-yl)pentan-1-ol

C10H16OS — CID 170554365

IUPAC5-(2H-thiopyran-3-yl)pentan-1-ol
SMILESOCCCCCC1=CC=CSC1
InChIInChI=1S/C10H16OS/c11-7-3-1-2-5-10-6-4-8-12-9-10/h4,6,8,11H,1-3,5,7,9H2
InChIKeyXTEJPSLQTXQLNA-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.73
Rot. Bonds5

About 5-(2H-thiopyran-3-yl)pentan-1-ol

5-(2H-thiopyran-3-yl)pentan-1-ol (PubChem CID 170554365) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 5-(2H-thiopyran-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2H-thiopyran-3-yl)pentan-1-ol
PubChem CID170554365
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name5-(2H-thiopyran-3-yl)pentan-1-ol
SMILESOCCCCCC1=CC=CSC1
InChIInChI=1S/C10H16OS/c11-7-3-1-2-5-10-6-4-8-12-9-10/h4,6,8,11H,1-3,5,7,9H2
InChIKeyXTEJPSLQTXQLNA-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-thiopyran-3-yl)pentan-1-ol?
The IUPAC name of 5-(2H-thiopyran-3-yl)pentan-1-ol (CID 170554365) is 5-(2H-thiopyran-3-yl)pentan-1-ol.
What is the SMILES notation for 5-(2H-thiopyran-3-yl)pentan-1-ol?
The canonical SMILES for 5-(2H-thiopyran-3-yl)pentan-1-ol is OCCCCCC1=CC=CSC1.
What is the InChIKey of 5-(2H-thiopyran-3-yl)pentan-1-ol?
The InChIKey is XTEJPSLQTXQLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c11-7-3-1-2-5-10-6-4-8-12-9-10/h4,6,8,11H,1-3,5,7,9H2.
What are the key properties of 5-(2H-thiopyran-3-yl)pentan-1-ol?
5-(2H-thiopyran-3-yl)pentan-1-ol has a molecular weight of 184.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-thiopyran-3-yl)pentan-1-ol is sourced from PubChem (CID 170554365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).