7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene

C17H26S2 — CID 134936870

IUPAC7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene
SMILESCC1=CCC2(CC1)C(C)=CC1(CC2(C)C)SCCS1
InChIInChI=1S/C17H26S2/c1-13-5-7-16(8-6-13)14(2)11-17(12-15(16,3)4)18-9-10-19-17/h5,11H,6-10,12H2,1-4H3
InChIKeyYCQQDTFPIAKXGB-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.66
Rot. Bonds

About 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene

7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene (PubChem CID 134936870) has the molecular formula C17H26S2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene.

Molecular Properties

Compound Name7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene
PubChem CID134936870
Molecular FormulaC17H26S2
Molecular Weight294.53 g/mol
Exact Mass294.15
IUPAC Name7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene
SMILESCC1=CCC2(CC1)C(C)=CC1(CC2(C)C)SCCS1
InChIInChI=1S/C17H26S2/c1-13-5-7-16(8-6-13)14(2)11-17(12-15(16,3)4)18-9-10-19-17/h5,11H,6-10,12H2,1-4H3
InChIKeyYCQQDTFPIAKXGB-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene?
The IUPAC name of 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene (CID 134936870) is 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene.
What is the SMILES notation for 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene?
The canonical SMILES for 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene is CC1=CCC2(CC1)C(C)=CC1(CC2(C)C)SCCS1.
What is the InChIKey of 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene?
The InChIKey is YCQQDTFPIAKXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26S2/c1-13-5-7-16(8-6-13)14(2)11-17(12-15(16,3)4)18-9-10-19-17/h5,11H,6-10,12H2,1-4H3.
What are the key properties of 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene?
7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene has a molecular weight of 294.53 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,14,14-tetramethyl-1,4-dithiadispiro[4.2.58.25]pentadeca-6,10-diene is sourced from PubChem (CID 134936870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).