3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane

C11H22OS — CID 155356520

IUPAC3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane
SMILESCSCCC(C1COC1)C(C)(C)C
InChIInChI=1S/C11H22OS/c1-11(2,3)10(5-6-13-4)9-7-12-8-9/h9-10H,5-8H2,1-4H3
InChIKeyPQATVJYTGVOYJS-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.05
Rot. Bonds4

About 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane

3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane (PubChem CID 155356520) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane.

Molecular Properties

Compound Name3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane
PubChem CID155356520
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane
SMILESCSCCC(C1COC1)C(C)(C)C
InChIInChI=1S/C11H22OS/c1-11(2,3)10(5-6-13-4)9-7-12-8-9/h9-10H,5-8H2,1-4H3
InChIKeyPQATVJYTGVOYJS-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane?
The IUPAC name of 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane (CID 155356520) is 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane.
What is the SMILES notation for 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane?
The canonical SMILES for 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane is CSCCC(C1COC1)C(C)(C)C.
What is the InChIKey of 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane?
The InChIKey is PQATVJYTGVOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-11(2,3)10(5-6-13-4)9-7-12-8-9/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane?
3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane has a molecular weight of 202.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1-methylsulfanylpentan-3-yl)oxetane is sourced from PubChem (CID 155356520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).