3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane

C11H20OS — CID 126678634

IUPAC3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane
SMILESCC1(CSCC2(C)COC2)CCC1
InChIInChI=1S/C11H20OS/c1-10(4-3-5-10)8-13-9-11(2)6-12-7-11/h3-9H2,1-2H3
InChIKeyJCQSTSOTDWVBNY-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.95
Rot. Bonds4

About 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane

3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane (PubChem CID 126678634) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane
PubChem CID126678634
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane
SMILESCC1(CSCC2(C)COC2)CCC1
InChIInChI=1S/C11H20OS/c1-10(4-3-5-10)8-13-9-11(2)6-12-7-11/h3-9H2,1-2H3
InChIKeyJCQSTSOTDWVBNY-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane?
The IUPAC name of 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane (CID 126678634) is 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane?
The canonical SMILES for 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane is CC1(CSCC2(C)COC2)CCC1.
What is the InChIKey of 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane?
The InChIKey is JCQSTSOTDWVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(4-3-5-10)8-13-9-11(2)6-12-7-11/h3-9H2,1-2H3.
What are the key properties of 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane?
3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane has a molecular weight of 200.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane is sourced from PubChem (CID 126678634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).