4-methylsulfonylhex-1-ene

C7H14O2S — CID 22082516

IUPAC4-methylsulfonylhex-1-ene
SMILESC=CCC(CC)S(C)(=O)=O
InChIInChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h4,7H,1,5-6H2,2-3H3
InChIKeyAZQPOXJXBFPTLW-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.39
Rot. Bonds4

About 4-methylsulfonylhex-1-ene

4-methylsulfonylhex-1-ene (PubChem CID 22082516) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 4-methylsulfonylhex-1-ene.

Molecular Properties

Compound Name4-methylsulfonylhex-1-ene
PubChem CID22082516
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name4-methylsulfonylhex-1-ene
SMILESC=CCC(CC)S(C)(=O)=O
InChIInChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h4,7H,1,5-6H2,2-3H3
InChIKeyAZQPOXJXBFPTLW-UHFFFAOYSA-N
XLogP1.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hex-5-ene-3-sulfonamide
CID 118903567
2-methylsulfonylbutan-1-ol
CID 117037681
3-hydroxy-6-methylsulfonyloctanal
CID 123747291
N-(1-methylsulfonylbut-3-enyl)methanesulfonamide
CID 22082529
5-methylsulfonyloxyocta-1,7-dien-4-yl methanesulfonate
CID 12977976
3-pent-1-en-3-ylsulfonylpent-1-ene
CID 87156214
2-methylhex-5-ene-3-sulfonamide
CID 130367234
4,5-diethylhept-1-ene
CID 123746760
ethene;4-ethylhex-1-ene
CID 159399050
2-prop-2-enylpent-4-enyl methanesulfonate
CID 11117171
hepta-1,6-dien-4-yl methyl sulfate
CID 141147379
pent-4-ene-2-sulfonyl chloride
CID 165486149

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylhex-1-ene?
The IUPAC name of 4-methylsulfonylhex-1-ene (CID 22082516) is 4-methylsulfonylhex-1-ene.
What is the SMILES notation for 4-methylsulfonylhex-1-ene?
The canonical SMILES for 4-methylsulfonylhex-1-ene is C=CCC(CC)S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonylhex-1-ene?
The InChIKey is AZQPOXJXBFPTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-4-6-7(5-2)10(3,8)9/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4-methylsulfonylhex-1-ene?
4-methylsulfonylhex-1-ene has a molecular weight of 162.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylhex-1-ene is sourced from PubChem (CID 22082516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).