1,5-dithiaspiro[5.6]dodecan-7-ol

C10H18OS2 — CID 589503

IUPAC1,5-dithiaspiro[5.6]dodecan-7-ol
SMILESOC1CCCCCC12SCCCS2
InChIInChI=1S/C10H18OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h9,11H,1-8H2
InChIKeyZZNCEYKPPZFQEJ-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.88
Rot. Bonds

About 1,5-dithiaspiro[5.6]dodecan-7-ol

1,5-dithiaspiro[5.6]dodecan-7-ol (PubChem CID 589503) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.6]dodecan-7-ol.

Molecular Properties

Compound Name1,5-dithiaspiro[5.6]dodecan-7-ol
PubChem CID589503
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name1,5-dithiaspiro[5.6]dodecan-7-ol
SMILESOC1CCCCCC12SCCCS2
InChIInChI=1S/C10H18OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h9,11H,1-8H2
InChIKeyZZNCEYKPPZFQEJ-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.6]dodecan-7-ol?
The IUPAC name of 1,5-dithiaspiro[5.6]dodecan-7-ol (CID 589503) is 1,5-dithiaspiro[5.6]dodecan-7-ol.
What is the SMILES notation for 1,5-dithiaspiro[5.6]dodecan-7-ol?
The canonical SMILES for 1,5-dithiaspiro[5.6]dodecan-7-ol is OC1CCCCCC12SCCCS2.
What is the InChIKey of 1,5-dithiaspiro[5.6]dodecan-7-ol?
The InChIKey is ZZNCEYKPPZFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c11-9-5-2-1-3-6-10(9)12-7-4-8-13-10/h9,11H,1-8H2.
What are the key properties of 1,5-dithiaspiro[5.6]dodecan-7-ol?
1,5-dithiaspiro[5.6]dodecan-7-ol has a molecular weight of 218.39 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.6]dodecan-7-ol is sourced from PubChem (CID 589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).