3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene

C15H20S — CID 129016965

IUPAC3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
SMILESCC1=CC(C)CC=C1SC1C=CC=CC1C
InChIInChI=1S/C15H20S/c1-11-8-9-15(13(3)10-11)16-14-7-5-4-6-12(14)2/h4-7,9-12,14H,8H2,1-3H3
InChIKeyUJAAGXRWQSAQGK-UHFFFAOYSA-N
MW232.39 g/mol
LogP4.72
Rot. Bonds2

About 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene

3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene (PubChem CID 129016965) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
PubChem CID129016965
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene
SMILESCC1=CC(C)CC=C1SC1C=CC=CC1C
InChIInChI=1S/C15H20S/c1-11-8-9-15(13(3)10-11)16-14-7-5-4-6-12(14)2/h4-7,9-12,14H,8H2,1-3H3
InChIKeyUJAAGXRWQSAQGK-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
The IUPAC name of 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene (CID 129016965) is 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
The canonical SMILES for 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene is CC1=CC(C)CC=C1SC1C=CC=CC1C.
What is the InChIKey of 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
The InChIKey is UJAAGXRWQSAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S/c1-11-8-9-15(13(3)10-11)16-14-7-5-4-6-12(14)2/h4-7,9-12,14H,8H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene?
3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene has a molecular weight of 232.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(6-methylcyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 129016965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).