1,5-dithiaspiro[5.5]undecan-9-ol

C9H16OS2 — CID 14685390

IUPAC1,5-dithiaspiro[5.5]undecan-9-ol
SMILESOC1CCC2(CC1)SCCCS2
InChIInChI=1S/C9H16OS2/c10-8-2-4-9(5-3-8)11-6-1-7-12-9/h8,10H,1-7H2
InChIKeyPGIPFCKAPRNOES-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.49
Rot. Bonds

About 1,5-dithiaspiro[5.5]undecan-9-ol

1,5-dithiaspiro[5.5]undecan-9-ol (PubChem CID 14685390) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name1,5-dithiaspiro[5.5]undecan-9-ol
PubChem CID14685390
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name1,5-dithiaspiro[5.5]undecan-9-ol
SMILESOC1CCC2(CC1)SCCCS2
InChIInChI=1S/C9H16OS2/c10-8-2-4-9(5-3-8)11-6-1-7-12-9/h8,10H,1-7H2
InChIKeyPGIPFCKAPRNOES-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.5]undecan-9-ol?
The IUPAC name of 1,5-dithiaspiro[5.5]undecan-9-ol (CID 14685390) is 1,5-dithiaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 1,5-dithiaspiro[5.5]undecan-9-ol?
The canonical SMILES for 1,5-dithiaspiro[5.5]undecan-9-ol is OC1CCC2(CC1)SCCCS2.
What is the InChIKey of 1,5-dithiaspiro[5.5]undecan-9-ol?
The InChIKey is PGIPFCKAPRNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS2/c10-8-2-4-9(5-3-8)11-6-1-7-12-9/h8,10H,1-7H2.
What are the key properties of 1,5-dithiaspiro[5.5]undecan-9-ol?
1,5-dithiaspiro[5.5]undecan-9-ol has a molecular weight of 204.36 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 14685390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).