6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene

C13H20S — CID 134444761

IUPAC6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene
SMILESC=C(C)SC1=CC(C)=CCC1(C)CC
InChIInChI=1S/C13H20S/c1-6-13(5)8-7-11(4)9-12(13)14-10(2)3/h7,9H,2,6,8H2,1,3-5H3
InChIKeyMFDJSFNOQUNBRP-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.90
Rot. Bonds3

About 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene

6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene (PubChem CID 134444761) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene
PubChem CID134444761
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene
SMILESC=C(C)SC1=CC(C)=CCC1(C)CC
InChIInChI=1S/C13H20S/c1-6-13(5)8-7-11(4)9-12(13)14-10(2)3/h7,9H,2,6,8H2,1,3-5H3
InChIKeyMFDJSFNOQUNBRP-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene (CID 134444761) is 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene is C=C(C)SC1=CC(C)=CCC1(C)CC.
What is the InChIKey of 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene?
The InChIKey is MFDJSFNOQUNBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-6-13(5)8-7-11(4)9-12(13)14-10(2)3/h7,9H,2,6,8H2,1,3-5H3.
What are the key properties of 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene?
6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene has a molecular weight of 208.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 134444761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).