4-methyl-2-(3-methylthiolan-2-yl)oxolane

C10H18OS — CID 135243838

IUPAC4-methyl-2-(3-methylthiolan-2-yl)oxolane
SMILESCC1COC(C2SCCC2C)C1
InChIInChI=1S/C10H18OS/c1-7-5-9(11-6-7)10-8(2)3-4-12-10/h7-10H,3-6H2,1-2H3
InChIKeyMNNWQYLHQOPNRT-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.55
Rot. Bonds1

About 4-methyl-2-(3-methylthiolan-2-yl)oxolane

4-methyl-2-(3-methylthiolan-2-yl)oxolane (PubChem CID 135243838) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-methyl-2-(3-methylthiolan-2-yl)oxolane.

Molecular Properties

Compound Name4-methyl-2-(3-methylthiolan-2-yl)oxolane
PubChem CID135243838
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-methyl-2-(3-methylthiolan-2-yl)oxolane
SMILESCC1COC(C2SCCC2C)C1
InChIInChI=1S/C10H18OS/c1-7-5-9(11-6-7)10-8(2)3-4-12-10/h7-10H,3-6H2,1-2H3
InChIKeyMNNWQYLHQOPNRT-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylthiolan-2-yl)oxolane?
The IUPAC name of 4-methyl-2-(3-methylthiolan-2-yl)oxolane (CID 135243838) is 4-methyl-2-(3-methylthiolan-2-yl)oxolane.
What is the SMILES notation for 4-methyl-2-(3-methylthiolan-2-yl)oxolane?
The canonical SMILES for 4-methyl-2-(3-methylthiolan-2-yl)oxolane is CC1COC(C2SCCC2C)C1.
What is the InChIKey of 4-methyl-2-(3-methylthiolan-2-yl)oxolane?
The InChIKey is MNNWQYLHQOPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-7-5-9(11-6-7)10-8(2)3-4-12-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylthiolan-2-yl)oxolane?
4-methyl-2-(3-methylthiolan-2-yl)oxolane has a molecular weight of 186.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylthiolan-2-yl)oxolane is sourced from PubChem (CID 135243838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).