(E)-3-butylsulfonylprop-2-en-1-ol

C7H14O3S — CID 13285010

IUPAC(E)-3-butylsulfonylprop-2-en-1-ol
SMILESCCCCS(=O)(=O)/C=C/CO
InChIInChI=1S/C7H14O3S/c1-2-3-6-11(9,10)7-4-5-8/h4,7-8H,2-3,5-6H2,1H3/b7-4+
InChIKeySFUCGBVKLBTPMG-QPJJXVBHSA-N
MW178.25 g/mol
LogP0.71
Rot. Bonds5

About (E)-3-butylsulfonylprop-2-en-1-ol

(E)-3-butylsulfonylprop-2-en-1-ol (PubChem CID 13285010) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is (E)-3-butylsulfonylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-butylsulfonylprop-2-en-1-ol
PubChem CID13285010
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name(E)-3-butylsulfonylprop-2-en-1-ol
SMILESCCCCS(=O)(=O)/C=C/CO
InChIInChI=1S/C7H14O3S/c1-2-3-6-11(9,10)7-4-5-8/h4,7-8H,2-3,5-6H2,1H3/b7-4+
InChIKeySFUCGBVKLBTPMG-QPJJXVBHSA-N
XLogP0.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-butylsulfonylprop-2-en-1-ol?
The IUPAC name of (E)-3-butylsulfonylprop-2-en-1-ol (CID 13285010) is (E)-3-butylsulfonylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-butylsulfonylprop-2-en-1-ol?
The canonical SMILES for (E)-3-butylsulfonylprop-2-en-1-ol is CCCCS(=O)(=O)/C=C/CO.
What is the InChIKey of (E)-3-butylsulfonylprop-2-en-1-ol?
The InChIKey is SFUCGBVKLBTPMG-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-3-6-11(9,10)7-4-5-8/h4,7-8H,2-3,5-6H2,1H3/b7-4+.
What are the key properties of (E)-3-butylsulfonylprop-2-en-1-ol?
(E)-3-butylsulfonylprop-2-en-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-butylsulfonylprop-2-en-1-ol is sourced from PubChem (CID 13285010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).