3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol

C10H20O2S — CID 15458144

IUPAC3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol
SMILESCC(C)(CCO)SC1CCCCO1
InChIInChI=1S/C10H20O2S/c1-10(2,6-7-11)13-9-5-3-4-8-12-9/h9,11H,3-8H2,1-2H3
InChIKeyKNTBGNFDOUXWOA-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.41
Rot. Bonds4

About 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol

3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol (PubChem CID 15458144) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol
PubChem CID15458144
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol
SMILESCC(C)(CCO)SC1CCCCO1
InChIInChI=1S/C10H20O2S/c1-10(2,6-7-11)13-9-5-3-4-8-12-9/h9,11H,3-8H2,1-2H3
InChIKeyKNTBGNFDOUXWOA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol (CID 15458144) is 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol is CC(C)(CCO)SC1CCCCO1.
What is the InChIKey of 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol?
The InChIKey is KNTBGNFDOUXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-10(2,6-7-11)13-9-5-3-4-8-12-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol?
3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol has a molecular weight of 204.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxan-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 15458144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).