(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol

C9H8OS — CID 5468277

IUPAC(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol
SMILESOC1C#CCSCC#C/C=C\1
InChIInChI=1S/C9H8OS/c10-9-5-2-1-3-7-11-8-4-6-9/h2,5,9-10H,7-8H2/b5-2-
InChIKeyGKHKXMZLELCPJA-DJWKRKHSSA-N
MW164.23 g/mol
LogP0.66
Rot. Bonds

About (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol

(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol (PubChem CID 5468277) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol.

Molecular Properties

Compound Name(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol
PubChem CID5468277
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol
SMILESOC1C#CCSCC#C/C=C\1
InChIInChI=1S/C9H8OS/c10-9-5-2-1-3-7-11-8-4-6-9/h2,5,9-10H,7-8H2/b5-2-
InChIKeyGKHKXMZLELCPJA-DJWKRKHSSA-N
XLogP0.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol?
The IUPAC name of (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol (CID 5468277) is (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol.
What is the SMILES notation for (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol?
The canonical SMILES for (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol is OC1C#CCSCC#C/C=C\1.
What is the InChIKey of (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol?
The InChIKey is GKHKXMZLELCPJA-DJWKRKHSSA-N. The full InChI is InChI=1S/C9H8OS/c10-9-5-2-1-3-7-11-8-4-6-9/h2,5,9-10H,7-8H2/b5-2-.
What are the key properties of (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol?
(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol has a molecular weight of 164.23 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-thiacyclodec-6-en-3,8-diyn-5-ol is sourced from PubChem (CID 5468277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).