4-methyl-1-methylsulfonylpent-3-en-2-ol

C7H14O3S — CID 115817201

IUPAC4-methyl-1-methylsulfonylpent-3-en-2-ol
SMILESCC(C)=CC(O)CS(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-6(2)4-7(8)5-11(3,9)10/h4,7-8H,5H2,1-3H3
InChIKeyIKIAAELIJIRCLB-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.36
Rot. Bonds3

About 4-methyl-1-methylsulfonylpent-3-en-2-ol

4-methyl-1-methylsulfonylpent-3-en-2-ol (PubChem CID 115817201) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonylpent-3-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-methylsulfonylpent-3-en-2-ol
PubChem CID115817201
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name4-methyl-1-methylsulfonylpent-3-en-2-ol
SMILESCC(C)=CC(O)CS(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-6(2)4-7(8)5-11(3,9)10/h4,7-8H,5H2,1-3H3
InChIKeyIKIAAELIJIRCLB-UHFFFAOYSA-N
XLogP0.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-hydroxy-2-sulfolene
CID 12239386
1-Hydroxy-3-methylpent-2z-ene-4-sulfonic acid
CID 129812365
5-Ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 134843026
1-(1,1-Dioxo-2,5-dihydrothiophen-3-yl)ethanol
CID 45086226
(14E)-3,7,11,15,19-pentamethyl-12-methylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 140405396
3,7,11,15,19,23-Hexamethyl-12-methylsulfonyltetracosa-2,6,10,14,18,22-hexaen-1-ol
CID 140405400
(Z)-3-(methylsulfanylmethyl)pent-3-en-2-ol
CID 141892180
5-Ethenylsulfonyl-4-hydroxypent-2-ene-2-sulfinate
CID 174795382
(E,2R,5S)-6,6-dimethyl-5-methylsulfonylhept-3-en-2-ol
CID 11298978
(E)-3-methyl-4-methylsulfonylbut-2-en-1-ol
CID 12688120
(Z)-3-methyl-4-methylsulfonylbut-2-en-1-ol
CID 12688121
1-(1,1-Dioxo-2,5-dihydrothiophen-3-yl)-4-methylpent-3-en-1-ol
CID 21727427

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonylpent-3-en-2-ol?
The IUPAC name of 4-methyl-1-methylsulfonylpent-3-en-2-ol (CID 115817201) is 4-methyl-1-methylsulfonylpent-3-en-2-ol.
What is the SMILES notation for 4-methyl-1-methylsulfonylpent-3-en-2-ol?
The canonical SMILES for 4-methyl-1-methylsulfonylpent-3-en-2-ol is CC(C)=CC(O)CS(C)(=O)=O.
What is the InChIKey of 4-methyl-1-methylsulfonylpent-3-en-2-ol?
The InChIKey is IKIAAELIJIRCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-6(2)4-7(8)5-11(3,9)10/h4,7-8H,5H2,1-3H3.
What are the key properties of 4-methyl-1-methylsulfonylpent-3-en-2-ol?
4-methyl-1-methylsulfonylpent-3-en-2-ol has a molecular weight of 178.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonylpent-3-en-2-ol is sourced from PubChem (CID 115817201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).