1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene

C11H20S — CID 137413958

IUPAC1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene
SMILESCSC(C)C1=C(C)CCC1(C)C
InChIInChI=1S/C11H20S/c1-8-6-7-11(3,4)10(8)9(2)12-5/h9H,6-7H2,1-5H3
InChIKeyKDKCVMWHYVYUBJ-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.87
Rot. Bonds2

About 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene

1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene (PubChem CID 137413958) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene
PubChem CID137413958
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene
SMILESCSC(C)C1=C(C)CCC1(C)C
InChIInChI=1S/C11H20S/c1-8-6-7-11(3,4)10(8)9(2)12-5/h9H,6-7H2,1-5H3
InChIKeyKDKCVMWHYVYUBJ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene?
The IUPAC name of 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene (CID 137413958) is 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene.
What is the SMILES notation for 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene?
The canonical SMILES for 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene is CSC(C)C1=C(C)CCC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene?
The InChIKey is KDKCVMWHYVYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-8-6-7-11(3,4)10(8)9(2)12-5/h9H,6-7H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene?
1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene has a molecular weight of 184.35 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(1-methylsulfanylethyl)cyclopentene is sourced from PubChem (CID 137413958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).