1,5-dithiaspiro[5.7]tridecan-7-ol

C11H20OS2 — CID 589360

IUPAC1,5-dithiaspiro[5.7]tridecan-7-ol
SMILESOC1CCCCCCC12SCCCS2
InChIInChI=1S/C11H20OS2/c12-10-6-3-1-2-4-7-11(10)13-8-5-9-14-11/h10,12H,1-9H2
InChIKeyJVWYOEKYHIUDPT-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.27
Rot. Bonds

About 1,5-dithiaspiro[5.7]tridecan-7-ol

1,5-dithiaspiro[5.7]tridecan-7-ol (PubChem CID 589360) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.7]tridecan-7-ol.

Molecular Properties

Compound Name1,5-dithiaspiro[5.7]tridecan-7-ol
PubChem CID589360
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name1,5-dithiaspiro[5.7]tridecan-7-ol
SMILESOC1CCCCCCC12SCCCS2
InChIInChI=1S/C11H20OS2/c12-10-6-3-1-2-4-7-11(10)13-8-5-9-14-11/h10,12H,1-9H2
InChIKeyJVWYOEKYHIUDPT-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.7]tridecan-7-ol?
The IUPAC name of 1,5-dithiaspiro[5.7]tridecan-7-ol (CID 589360) is 1,5-dithiaspiro[5.7]tridecan-7-ol.
What is the SMILES notation for 1,5-dithiaspiro[5.7]tridecan-7-ol?
The canonical SMILES for 1,5-dithiaspiro[5.7]tridecan-7-ol is OC1CCCCCCC12SCCCS2.
What is the InChIKey of 1,5-dithiaspiro[5.7]tridecan-7-ol?
The InChIKey is JVWYOEKYHIUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c12-10-6-3-1-2-4-7-11(10)13-8-5-9-14-11/h10,12H,1-9H2.
What are the key properties of 1,5-dithiaspiro[5.7]tridecan-7-ol?
1,5-dithiaspiro[5.7]tridecan-7-ol has a molecular weight of 232.41 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.7]tridecan-7-ol is sourced from PubChem (CID 589360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).