7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide

C12H20O4S2 — CID 15184645

IUPAC7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide
SMILESO=S1(=O)C2(CCCCC2)S(=O)(=O)C12CCCCC2
InChIInChI=1S/C12H20O4S2/c13-17(14)11(7-3-1-4-8-11)18(15,16)12(17)9-5-2-6-10-12/h1-10H2
InChIKeyRNMXIVBCIJUZCE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.15
Rot. Bonds

About 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide

7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide (PubChem CID 15184645) has the molecular formula C12H20O4S2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide.

Molecular Properties

Compound Name7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide
PubChem CID15184645
Molecular FormulaC12H20O4S2
Molecular Weight292.42 g/mol
Exact Mass292.08
IUPAC Name7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide
SMILESO=S1(=O)C2(CCCCC2)S(=O)(=O)C12CCCCC2
InChIInChI=1S/C12H20O4S2/c13-17(14)11(7-3-1-4-8-11)18(15,16)12(17)9-5-2-6-10-12/h1-10H2
InChIKeyRNMXIVBCIJUZCE-UHFFFAOYSA-N
XLogP2.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide?
The IUPAC name of 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide (CID 15184645) is 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide.
What is the SMILES notation for 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide?
The canonical SMILES for 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide is O=S1(=O)C2(CCCCC2)S(=O)(=O)C12CCCCC2.
What is the InChIKey of 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide?
The InChIKey is RNMXIVBCIJUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4S2/c13-17(14)11(7-3-1-4-8-11)18(15,16)12(17)9-5-2-6-10-12/h1-10H2.
What are the key properties of 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide?
7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide has a molecular weight of 292.42 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7lambda6,14lambda6-dithiadispiro[5.1.58.16]tetradecane 7,7,14,14-tetraoxide is sourced from PubChem (CID 15184645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).