2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol

C10H20O2S — CID 79361071

IUPAC2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol
SMILESCC(C)(O)CCSC1CCOCC1
InChIInChI=1S/C10H20O2S/c1-10(2,11)5-8-13-9-3-6-12-7-4-9/h9,11H,3-8H2,1-2H3
InChIKeyULFJUJQGYQDOSO-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol

2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol (PubChem CID 79361071) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol
PubChem CID79361071
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol
SMILESCC(C)(O)CCSC1CCOCC1
InChIInChI=1S/C10H20O2S/c1-10(2,11)5-8-13-9-3-6-12-7-4-9/h9,11H,3-8H2,1-2H3
InChIKeyULFJUJQGYQDOSO-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol?
The IUPAC name of 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol (CID 79361071) is 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol is CC(C)(O)CCSC1CCOCC1.
What is the InChIKey of 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol?
The InChIKey is ULFJUJQGYQDOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-10(2,11)5-8-13-9-3-6-12-7-4-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol?
2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol has a molecular weight of 204.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxan-4-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 79361071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).