1-(thiiran-2-yl)oct-2-yn-1-ol

C10H16OS — CID 85361070

IUPAC1-(thiiran-2-yl)oct-2-yn-1-ol
SMILESCCCCCC#CC(O)C1CS1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-6-7-9(11)10-8-12-10/h9-11H,2-5,8H2,1H3
InChIKeyMEOASFFBFLIUKB-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(thiiran-2-yl)oct-2-yn-1-ol

1-(thiiran-2-yl)oct-2-yn-1-ol (PubChem CID 85361070) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-(thiiran-2-yl)oct-2-yn-1-ol.

Molecular Properties

Compound Name1-(thiiran-2-yl)oct-2-yn-1-ol
PubChem CID85361070
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-(thiiran-2-yl)oct-2-yn-1-ol
SMILESCCCCCC#CC(O)C1CS1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-6-7-9(11)10-8-12-10/h9-11H,2-5,8H2,1H3
InChIKeyMEOASFFBFLIUKB-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(thiiran-2-yl)oct-2-yn-1-ol?
The IUPAC name of 1-(thiiran-2-yl)oct-2-yn-1-ol (CID 85361070) is 1-(thiiran-2-yl)oct-2-yn-1-ol.
What is the SMILES notation for 1-(thiiran-2-yl)oct-2-yn-1-ol?
The canonical SMILES for 1-(thiiran-2-yl)oct-2-yn-1-ol is CCCCCC#CC(O)C1CS1.
What is the InChIKey of 1-(thiiran-2-yl)oct-2-yn-1-ol?
The InChIKey is MEOASFFBFLIUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-5-6-7-9(11)10-8-12-10/h9-11H,2-5,8H2,1H3.
What are the key properties of 1-(thiiran-2-yl)oct-2-yn-1-ol?
1-(thiiran-2-yl)oct-2-yn-1-ol has a molecular weight of 184.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiiran-2-yl)oct-2-yn-1-ol is sourced from PubChem (CID 85361070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).