3-methyl-1-methylsulfanylpentan-3-ol

C7H16OS — CID 86080128

IUPAC3-methyl-1-methylsulfanylpentan-3-ol
SMILESCCC(C)(O)CCSC
InChIInChI=1S/C7H16OS/c1-4-7(2,8)5-6-9-3/h8H,4-6H2,1-3H3
InChIKeyLFLZHLYEQFDYBB-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.90
Rot. Bonds4

About 3-methyl-1-methylsulfanylpentan-3-ol

3-methyl-1-methylsulfanylpentan-3-ol (PubChem CID 86080128) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanylpentan-3-ol.

Molecular Properties

Compound Name3-methyl-1-methylsulfanylpentan-3-ol
PubChem CID86080128
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name3-methyl-1-methylsulfanylpentan-3-ol
SMILESCCC(C)(O)CCSC
InChIInChI=1S/C7H16OS/c1-4-7(2,8)5-6-9-3/h8H,4-6H2,1-3H3
InChIKeyLFLZHLYEQFDYBB-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanylpentan-3-ol?
The IUPAC name of 3-methyl-1-methylsulfanylpentan-3-ol (CID 86080128) is 3-methyl-1-methylsulfanylpentan-3-ol.
What is the SMILES notation for 3-methyl-1-methylsulfanylpentan-3-ol?
The canonical SMILES for 3-methyl-1-methylsulfanylpentan-3-ol is CCC(C)(O)CCSC.
What is the InChIKey of 3-methyl-1-methylsulfanylpentan-3-ol?
The InChIKey is LFLZHLYEQFDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-4-7(2,8)5-6-9-3/h8H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-methylsulfanylpentan-3-ol?
3-methyl-1-methylsulfanylpentan-3-ol has a molecular weight of 148.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanylpentan-3-ol is sourced from PubChem (CID 86080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).