6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene

C24H40S — CID 20778572

IUPAC6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene
SMILESCCCCCCCCCCCCc1ccc2c(c1)C(C)CC(C)(C)S2
InChIInChI=1S/C24H40S/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-18,20H,5-15,19H2,1-4H3
InChIKeyJGDJMWNYNUEPRR-UHFFFAOYSA-N
MW360.65 g/mol
LogP8.53
Rot. Bonds11

About 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene

6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene (PubChem CID 20778572) has the molecular formula C24H40S and a molecular weight of 360.65 g/mol. Its IUPAC name is 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene.

Molecular Properties

Compound Name6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene
PubChem CID20778572
Molecular FormulaC24H40S
Molecular Weight360.65 g/mol
Exact Mass360.29
IUPAC Name6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene
SMILESCCCCCCCCCCCCc1ccc2c(c1)C(C)CC(C)(C)S2
InChIInChI=1S/C24H40S/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-18,20H,5-15,19H2,1-4H3
InChIKeyJGDJMWNYNUEPRR-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.65
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene?
The IUPAC name of 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene (CID 20778572) is 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene.
What is the SMILES notation for 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene?
The canonical SMILES for 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene is CCCCCCCCCCCCc1ccc2c(c1)C(C)CC(C)(C)S2.
What is the InChIKey of 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene?
The InChIKey is JGDJMWNYNUEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40S/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-18,20H,5-15,19H2,1-4H3.
What are the key properties of 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene?
6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene has a molecular weight of 360.65 g/mol, XLogP of 8.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecyl-2,2,4-trimethyl-3,4-dihydrothiochromene is sourced from PubChem (CID 20778572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).