2-methyl-1-methylidene-3-methylsulfanylcyclopentane

C8H14S — CID 123273987

IUPAC2-methyl-1-methylidene-3-methylsulfanylcyclopentane
SMILESC=C1CCC(SC)C1C
InChIInChI=1S/C8H14S/c1-6-4-5-8(9-3)7(6)2/h7-8H,1,4-5H2,2-3H3
InChIKeyHTYAECKHGFGOKP-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.70
Rot. Bonds1

About 2-methyl-1-methylidene-3-methylsulfanylcyclopentane

2-methyl-1-methylidene-3-methylsulfanylcyclopentane (PubChem CID 123273987) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-methyl-1-methylidene-3-methylsulfanylcyclopentane.

Molecular Properties

Compound Name2-methyl-1-methylidene-3-methylsulfanylcyclopentane
PubChem CID123273987
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-methyl-1-methylidene-3-methylsulfanylcyclopentane
SMILESC=C1CCC(SC)C1C
InChIInChI=1S/C8H14S/c1-6-4-5-8(9-3)7(6)2/h7-8H,1,4-5H2,2-3H3
InChIKeyHTYAECKHGFGOKP-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.70
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 2-methyl-1-methylidene-3-methylsulfanylcyclopentane?
The IUPAC name of 2-methyl-1-methylidene-3-methylsulfanylcyclopentane (CID 123273987) is 2-methyl-1-methylidene-3-methylsulfanylcyclopentane.
What is the SMILES notation for 2-methyl-1-methylidene-3-methylsulfanylcyclopentane?
The canonical SMILES for 2-methyl-1-methylidene-3-methylsulfanylcyclopentane is C=C1CCC(SC)C1C.
What is the InChIKey of 2-methyl-1-methylidene-3-methylsulfanylcyclopentane?
The InChIKey is HTYAECKHGFGOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6-4-5-8(9-3)7(6)2/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 2-methyl-1-methylidene-3-methylsulfanylcyclopentane?
2-methyl-1-methylidene-3-methylsulfanylcyclopentane has a molecular weight of 142.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-3-methylsulfanylcyclopentane is sourced from PubChem (CID 123273987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).