2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol

C10H22OS — CID 54412332

IUPAC2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol
SMILESCSC(C)(C)C(C)(C)C(C)(C)O
InChIInChI=1S/C10H22OS/c1-8(2,9(3,4)11)10(5,6)12-7/h11H,1-7H3
InChIKeyVUZSNDUYSHAJCS-UHFFFAOYSA-N
MW190.35 g/mol
LogP2.93
Rot. Bonds3

About 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol

2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol (PubChem CID 54412332) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol
PubChem CID54412332
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol
SMILESCSC(C)(C)C(C)(C)C(C)(C)O
InChIInChI=1S/C10H22OS/c1-8(2,9(3,4)11)10(5,6)12-7/h11H,1-7H3
InChIKeyVUZSNDUYSHAJCS-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol?
The IUPAC name of 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol (CID 54412332) is 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol.
What is the SMILES notation for 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol?
The canonical SMILES for 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol is CSC(C)(C)C(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol?
The InChIKey is VUZSNDUYSHAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-8(2,9(3,4)11)10(5,6)12-7/h11H,1-7H3.
What are the key properties of 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol?
2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol has a molecular weight of 190.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethyl-4-methylsulfanylpentan-2-ol is sourced from PubChem (CID 54412332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).