(E)-3-ethylsulfonylpent-2-ene

C7H14O2S — CID 5325472

IUPAC(E)-3-ethylsulfonylpent-2-ene
SMILESC/C=C(\CC)S(=O)(=O)CC
InChIInChI=1S/C7H14O2S/c1-4-7(5-2)10(8,9)6-3/h4H,5-6H2,1-3H3/b7-4+
InChIKeyUBWRVBDQMCBRCR-QPJJXVBHSA-N
MW162.25 g/mol
LogP1.73
Rot. Bonds3

About (E)-3-ethylsulfonylpent-2-ene

(E)-3-ethylsulfonylpent-2-ene (PubChem CID 5325472) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (E)-3-ethylsulfonylpent-2-ene.

Molecular Properties

Compound Name(E)-3-ethylsulfonylpent-2-ene
PubChem CID5325472
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(E)-3-ethylsulfonylpent-2-ene
SMILESC/C=C(\CC)S(=O)(=O)CC
InChIInChI=1S/C7H14O2S/c1-4-7(5-2)10(8,9)6-3/h4H,5-6H2,1-3H3/b7-4+
InChIKeyUBWRVBDQMCBRCR-QPJJXVBHSA-N
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-3-ethylsulfonylpent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethylsulfonylpent-2-ene?
The IUPAC name of (E)-3-ethylsulfonylpent-2-ene (CID 5325472) is (E)-3-ethylsulfonylpent-2-ene.
What is the SMILES notation for (E)-3-ethylsulfonylpent-2-ene?
The canonical SMILES for (E)-3-ethylsulfonylpent-2-ene is C/C=C(\CC)S(=O)(=O)CC.
What is the InChIKey of (E)-3-ethylsulfonylpent-2-ene?
The InChIKey is UBWRVBDQMCBRCR-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14O2S/c1-4-7(5-2)10(8,9)6-3/h4H,5-6H2,1-3H3/b7-4+.
What are the key properties of (E)-3-ethylsulfonylpent-2-ene?
(E)-3-ethylsulfonylpent-2-ene has a molecular weight of 162.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethylsulfonylpent-2-ene is sourced from PubChem (CID 5325472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).