1,5-dithiaspiro[5.11]heptadecane

C15H28S2 — CID 10880259

IUPAC1,5-dithiaspiro[5.11]heptadecane
SMILESC1CCCCCC2(CCCCC1)SCCCS2
InChIInChI=1S/C15H28S2/c1-2-4-6-8-11-15(12-9-7-5-3-1)16-13-10-14-17-15/h1-14H2
InChIKeyKJPURLRZTCCWAB-UHFFFAOYSA-N
MW272.52 g/mol
LogP5.86
Rot. Bonds

About 1,5-dithiaspiro[5.11]heptadecane

1,5-dithiaspiro[5.11]heptadecane (PubChem CID 10880259) has the molecular formula C15H28S2 and a molecular weight of 272.52 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.11]heptadecane.

Molecular Properties

Compound Name1,5-dithiaspiro[5.11]heptadecane
PubChem CID10880259
Molecular FormulaC15H28S2
Molecular Weight272.52 g/mol
Exact Mass272.16
IUPAC Name1,5-dithiaspiro[5.11]heptadecane
SMILESC1CCCCCC2(CCCCC1)SCCCS2
InChIInChI=1S/C15H28S2/c1-2-4-6-8-11-15(12-9-7-5-3-1)16-13-10-14-17-15/h1-14H2
InChIKeyKJPURLRZTCCWAB-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.11]heptadecane?
The IUPAC name of 1,5-dithiaspiro[5.11]heptadecane (CID 10880259) is 1,5-dithiaspiro[5.11]heptadecane.
What is the SMILES notation for 1,5-dithiaspiro[5.11]heptadecane?
The canonical SMILES for 1,5-dithiaspiro[5.11]heptadecane is C1CCCCCC2(CCCCC1)SCCCS2.
What is the InChIKey of 1,5-dithiaspiro[5.11]heptadecane?
The InChIKey is KJPURLRZTCCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S2/c1-2-4-6-8-11-15(12-9-7-5-3-1)16-13-10-14-17-15/h1-14H2.
What are the key properties of 1,5-dithiaspiro[5.11]heptadecane?
1,5-dithiaspiro[5.11]heptadecane has a molecular weight of 272.52 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.11]heptadecane is sourced from PubChem (CID 10880259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).