(6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene

C10H16OS — CID 174311367

IUPAC(6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene
SMILESCC1=C[C@H](C)C(C)C=C1S(C)=O
InChIInChI=1S/C10H16OS/c1-7-5-9(3)10(12(4)11)6-8(7)2/h5-8H,1-4H3/t7-,8?,12?/m0/s1
InChIKeyLCXXVMWEUNLCEL-ZOTTZIKWSA-N
MW184.30 g/mol
LogP2.48
Rot. Bonds1

About (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene

(6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene (PubChem CID 174311367) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene
PubChem CID174311367
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene
SMILESCC1=C[C@H](C)C(C)C=C1S(C)=O
InChIInChI=1S/C10H16OS/c1-7-5-9(3)10(12(4)11)6-8(7)2/h5-8H,1-4H3/t7-,8?,12?/m0/s1
InChIKeyLCXXVMWEUNLCEL-ZOTTZIKWSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene?
The IUPAC name of (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene (CID 174311367) is (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene is CC1=C[C@H](C)C(C)C=C1S(C)=O.
What is the InChIKey of (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene?
The InChIKey is LCXXVMWEUNLCEL-ZOTTZIKWSA-N. The full InChI is InChI=1S/C10H16OS/c1-7-5-9(3)10(12(4)11)6-8(7)2/h5-8H,1-4H3/t7-,8?,12?/m0/s1.
What are the key properties of (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene?
(6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene has a molecular weight of 184.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,5,6-trimethyl-3-methylsulfinylcyclohexa-1,3-diene is sourced from PubChem (CID 174311367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).