(E)-3-methylsulfonylhex-3-ene

C7H14O2S — CID 5324758

IUPAC(E)-3-methylsulfonylhex-3-ene
SMILESCC/C=C(\CC)S(C)(=O)=O
InChIInChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeySYPFSRGLVGENFO-VOTSOKGWSA-N
MW162.25 g/mol
LogP1.73
Rot. Bonds3

About (E)-3-methylsulfonylhex-3-ene

(E)-3-methylsulfonylhex-3-ene (PubChem CID 5324758) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (E)-3-methylsulfonylhex-3-ene.

Molecular Properties

Compound Name(E)-3-methylsulfonylhex-3-ene
PubChem CID5324758
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(E)-3-methylsulfonylhex-3-ene
SMILESCC/C=C(\CC)S(C)(=O)=O
InChIInChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeySYPFSRGLVGENFO-VOTSOKGWSA-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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfonylhex-3-ene?
The IUPAC name of (E)-3-methylsulfonylhex-3-ene (CID 5324758) is (E)-3-methylsulfonylhex-3-ene.
What is the SMILES notation for (E)-3-methylsulfonylhex-3-ene?
The canonical SMILES for (E)-3-methylsulfonylhex-3-ene is CC/C=C(\CC)S(C)(=O)=O.
What is the InChIKey of (E)-3-methylsulfonylhex-3-ene?
The InChIKey is SYPFSRGLVGENFO-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-3-methylsulfonylhex-3-ene?
(E)-3-methylsulfonylhex-3-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-methylsulfonylhex-3-ene is sourced from PubChem (CID 5324758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).