1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane

C12H24S — CID 70658974

IUPAC1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane
SMILESCCC1(CSC(C)(C)C)CCCC1
InChIInChI=1S/C12H24S/c1-5-12(8-6-7-9-12)10-13-11(2,3)4/h5-10H2,1-4H3
InChIKeyHOWAVZQNNGYLDW-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.49
Rot. Bonds3

About 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane

1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane (PubChem CID 70658974) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane.

Molecular Properties

Compound Name1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane
PubChem CID70658974
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane
SMILESCCC1(CSC(C)(C)C)CCCC1
InChIInChI=1S/C12H24S/c1-5-12(8-6-7-9-12)10-13-11(2,3)4/h5-10H2,1-4H3
InChIKeyHOWAVZQNNGYLDW-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane?
The IUPAC name of 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane (CID 70658974) is 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane.
What is the SMILES notation for 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane?
The canonical SMILES for 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane is CCC1(CSC(C)(C)C)CCCC1.
What is the InChIKey of 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane?
The InChIKey is HOWAVZQNNGYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-5-12(8-6-7-9-12)10-13-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane?
1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane has a molecular weight of 200.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfanylmethyl)-1-ethylcyclopentane is sourced from PubChem (CID 70658974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).