furan-2-ylmethanol;2-propan-2-ylsulfanylpropane

C11H20O2S — CID 174913675

IUPACfuran-2-ylmethanol;2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)C.OCc1ccco1
InChIInChI=1S/C6H14S.C5H6O2/c1-5(2)7-6(3)4;6-4-5-2-1-3-7-5/h5-6H,1-4H3;1-3,6H,4H2
InChIKeyFUUXEHFTPFIIFT-UHFFFAOYSA-N
MW216.35 g/mol
LogP3.31
Rot. Bonds3

About furan-2-ylmethanol;2-propan-2-ylsulfanylpropane

furan-2-ylmethanol;2-propan-2-ylsulfanylpropane (PubChem CID 174913675) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is furan-2-ylmethanol;2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Namefuran-2-ylmethanol;2-propan-2-ylsulfanylpropane
PubChem CID174913675
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namefuran-2-ylmethanol;2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)C.OCc1ccco1
InChIInChI=1S/C6H14S.C5H6O2/c1-5(2)7-6(3)4;6-4-5-2-1-3-7-5/h5-6H,1-4H3;1-3,6H,4H2
InChIKeyFUUXEHFTPFIIFT-UHFFFAOYSA-N
XLogP3.31
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanol;2-propan-2-ylsulfanylpropane?
The IUPAC name of furan-2-ylmethanol;2-propan-2-ylsulfanylpropane (CID 174913675) is furan-2-ylmethanol;2-propan-2-ylsulfanylpropane.
What is the SMILES notation for furan-2-ylmethanol;2-propan-2-ylsulfanylpropane?
The canonical SMILES for furan-2-ylmethanol;2-propan-2-ylsulfanylpropane is CC(C)SC(C)C.OCc1ccco1.
What is the InChIKey of furan-2-ylmethanol;2-propan-2-ylsulfanylpropane?
The InChIKey is FUUXEHFTPFIIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S.C5H6O2/c1-5(2)7-6(3)4;6-4-5-2-1-3-7-5/h5-6H,1-4H3;1-3,6H,4H2.
What are the key properties of furan-2-ylmethanol;2-propan-2-ylsulfanylpropane?
furan-2-ylmethanol;2-propan-2-ylsulfanylpropane has a molecular weight of 216.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanol;2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 174913675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).