1,5-dithiaspiro[5.9]pentadecan-7-ol

C13H24OS2 — CID 577327

IUPAC1,5-dithiaspiro[5.9]pentadecan-7-ol
SMILESOC1CCCCCCCCC12SCCCS2
InChIInChI=1S/C13H24OS2/c14-12-8-5-3-1-2-4-6-9-13(12)15-10-7-11-16-13/h12,14H,1-11H2
InChIKeyQSZFOLJWWMFULH-UHFFFAOYSA-N
MW260.47 g/mol
LogP4.05
Rot. Bonds

About 1,5-dithiaspiro[5.9]pentadecan-7-ol

1,5-dithiaspiro[5.9]pentadecan-7-ol (PubChem CID 577327) has the molecular formula C13H24OS2 and a molecular weight of 260.47 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.9]pentadecan-7-ol.

Molecular Properties

Compound Name1,5-dithiaspiro[5.9]pentadecan-7-ol
PubChem CID577327
Molecular FormulaC13H24OS2
Molecular Weight260.47 g/mol
Exact Mass260.13
IUPAC Name1,5-dithiaspiro[5.9]pentadecan-7-ol
SMILESOC1CCCCCCCCC12SCCCS2
InChIInChI=1S/C13H24OS2/c14-12-8-5-3-1-2-4-6-9-13(12)15-10-7-11-16-13/h12,14H,1-11H2
InChIKeyQSZFOLJWWMFULH-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.9]pentadecan-7-ol?
The IUPAC name of 1,5-dithiaspiro[5.9]pentadecan-7-ol (CID 577327) is 1,5-dithiaspiro[5.9]pentadecan-7-ol.
What is the SMILES notation for 1,5-dithiaspiro[5.9]pentadecan-7-ol?
The canonical SMILES for 1,5-dithiaspiro[5.9]pentadecan-7-ol is OC1CCCCCCCCC12SCCCS2.
What is the InChIKey of 1,5-dithiaspiro[5.9]pentadecan-7-ol?
The InChIKey is QSZFOLJWWMFULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS2/c14-12-8-5-3-1-2-4-6-9-13(12)15-10-7-11-16-13/h12,14H,1-11H2.
What are the key properties of 1,5-dithiaspiro[5.9]pentadecan-7-ol?
1,5-dithiaspiro[5.9]pentadecan-7-ol has a molecular weight of 260.47 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.9]pentadecan-7-ol is sourced from PubChem (CID 577327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).