5-methyl-3-(3-methylbutyl)thiolan-3-ol

C10H20OS — CID 79949218

IUPAC5-methyl-3-(3-methylbutyl)thiolan-3-ol
SMILESCC(C)CCC1(O)CSC(C)C1
InChIInChI=1S/C10H20OS/c1-8(2)4-5-10(11)6-9(3)12-7-10/h8-9,11H,4-7H2,1-3H3
InChIKeyOZMLDWVQAZUBEK-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds3

About 5-methyl-3-(3-methylbutyl)thiolan-3-ol

5-methyl-3-(3-methylbutyl)thiolan-3-ol (PubChem CID 79949218) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 5-methyl-3-(3-methylbutyl)thiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-(3-methylbutyl)thiolan-3-ol
PubChem CID79949218
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name5-methyl-3-(3-methylbutyl)thiolan-3-ol
SMILESCC(C)CCC1(O)CSC(C)C1
InChIInChI=1S/C10H20OS/c1-8(2)4-5-10(11)6-9(3)12-7-10/h8-9,11H,4-7H2,1-3H3
InChIKeyOZMLDWVQAZUBEK-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylbutyl)thiolan-3-ol?
The IUPAC name of 5-methyl-3-(3-methylbutyl)thiolan-3-ol (CID 79949218) is 5-methyl-3-(3-methylbutyl)thiolan-3-ol.
What is the SMILES notation for 5-methyl-3-(3-methylbutyl)thiolan-3-ol?
The canonical SMILES for 5-methyl-3-(3-methylbutyl)thiolan-3-ol is CC(C)CCC1(O)CSC(C)C1.
What is the InChIKey of 5-methyl-3-(3-methylbutyl)thiolan-3-ol?
The InChIKey is OZMLDWVQAZUBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)4-5-10(11)6-9(3)12-7-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 5-methyl-3-(3-methylbutyl)thiolan-3-ol?
5-methyl-3-(3-methylbutyl)thiolan-3-ol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylbutyl)thiolan-3-ol is sourced from PubChem (CID 79949218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).