6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol

C15H28S2 — CID 57252280

IUPAC6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol
SMILESC=CC(C)CC(C)CC(C)C(S)CC=CCS
InChIInChI=1S/C15H28S2/c1-5-12(2)10-13(3)11-14(4)15(17)8-6-7-9-16/h5-7,12-17H,1,8-11H2,2-4H3
InChIKeyCVWZPRLDKHPLTM-UHFFFAOYSA-N
MW272.52 g/mol
LogP5.04
Rot. Bonds9

About 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol

6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol (PubChem CID 57252280) has the molecular formula C15H28S2 and a molecular weight of 272.52 g/mol. Its IUPAC name is 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol.

Molecular Properties

Compound Name6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol
PubChem CID57252280
Molecular FormulaC15H28S2
Molecular Weight272.52 g/mol
Exact Mass272.16
IUPAC Name6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol
SMILESC=CC(C)CC(C)CC(C)C(S)CC=CCS
InChIInChI=1S/C15H28S2/c1-5-12(2)10-13(3)11-14(4)15(17)8-6-7-9-16/h5-7,12-17H,1,8-11H2,2-4H3
InChIKeyCVWZPRLDKHPLTM-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.52
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol?
The IUPAC name of 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol (CID 57252280) is 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol.
What is the SMILES notation for 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol?
The canonical SMILES for 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol is C=CC(C)CC(C)CC(C)C(S)CC=CCS.
What is the InChIKey of 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol?
The InChIKey is CVWZPRLDKHPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S2/c1-5-12(2)10-13(3)11-14(4)15(17)8-6-7-9-16/h5-7,12-17H,1,8-11H2,2-4H3.
What are the key properties of 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol?
6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol has a molecular weight of 272.52 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,10-trimethyldodeca-2,11-diene-1,5-dithiol is sourced from PubChem (CID 57252280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).