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

C5H10O3S — CID 12640997

IUPAC(E)-3-ethylsulfonylprop-2-en-1-ol
SMILESCCS(=O)(=O)/C=C/CO
InChIInChI=1S/C5H10O3S/c1-2-9(7,8)5-3-4-6/h3,5-6H,2,4H2,1H3/b5-3+
InChIKeyCNIVQQDOTYWPNQ-HWKANZROSA-N
MW150.20 g/mol
LogP-0.07
Rot. Bonds3

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

(E)-3-ethylsulfonylprop-2-en-1-ol (PubChem CID 12640997) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (E)-3-ethylsulfonylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-ethylsulfonylprop-2-en-1-ol
PubChem CID12640997
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(E)-3-ethylsulfonylprop-2-en-1-ol
SMILESCCS(=O)(=O)/C=C/CO
InChIInChI=1S/C5H10O3S/c1-2-9(7,8)5-3-4-6/h3,5-6H,2,4H2,1H3/b5-3+
InChIKeyCNIVQQDOTYWPNQ-HWKANZROSA-N
XLogP-0.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethylsulfonylprop-2-en-1-ol?
The IUPAC name of (E)-3-ethylsulfonylprop-2-en-1-ol (CID 12640997) is (E)-3-ethylsulfonylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-ethylsulfonylprop-2-en-1-ol?
The canonical SMILES for (E)-3-ethylsulfonylprop-2-en-1-ol is CCS(=O)(=O)/C=C/CO.
What is the InChIKey of (E)-3-ethylsulfonylprop-2-en-1-ol?
The InChIKey is CNIVQQDOTYWPNQ-HWKANZROSA-N. The full InChI is InChI=1S/C5H10O3S/c1-2-9(7,8)5-3-4-6/h3,5-6H,2,4H2,1H3/b5-3+.
What are the key properties of (E)-3-ethylsulfonylprop-2-en-1-ol?
(E)-3-ethylsulfonylprop-2-en-1-ol has a molecular weight of 150.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethylsulfonylprop-2-en-1-ol is sourced from PubChem (CID 12640997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).