1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene

C12H20S — CID 15769687

IUPAC1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene
SMILESCSCCC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C12H20S/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h10H,6-7H2,1-5H3
InChIKeySXMLNAQXMCCSFQ-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.04
Rot. Bonds3

About 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene

1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene (PubChem CID 15769687) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene
PubChem CID15769687
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene
SMILESCSCCC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C12H20S/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h10H,6-7H2,1-5H3
InChIKeySXMLNAQXMCCSFQ-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene (CID 15769687) is 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene is CSCCC1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene?
The InChIKey is SXMLNAQXMCCSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h10H,6-7H2,1-5H3.
What are the key properties of 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene?
1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene has a molecular weight of 196.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-(2-methylsulfanylethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 15769687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).