5-methyl-2-methylsulfonylhex-4-en-3-ol

C8H16O3S — CID 115817162

IUPAC5-methyl-2-methylsulfonylhex-4-en-3-ol
SMILESCC(C)=CC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-6(2)5-8(9)7(3)12(4,10)11/h5,7-9H,1-4H3
InChIKeyYSWOUGVUHDWKKP-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.75
Rot. Bonds3

About 5-methyl-2-methylsulfonylhex-4-en-3-ol

5-methyl-2-methylsulfonylhex-4-en-3-ol (PubChem CID 115817162) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-methyl-2-methylsulfonylhex-4-en-3-ol.

Molecular Properties

Compound Name5-methyl-2-methylsulfonylhex-4-en-3-ol
PubChem CID115817162
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name5-methyl-2-methylsulfonylhex-4-en-3-ol
SMILESCC(C)=CC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-6(2)5-8(9)7(3)12(4,10)11/h5,7-9H,1-4H3
InChIKeyYSWOUGVUHDWKKP-UHFFFAOYSA-N
XLogP0.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.75
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-Hydroxy-5-pentyl-2,3-dihydrothiophene-1,1-dioxide
CID 16756467
5-Ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 134843026
(2E)-3,7-dimethyl-1-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)octa-2,6-dien-1-ol
CID 11119634
(E)-2-methyl-4-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)but-2-en-1-ol
CID 14565894
3-Methyl-1-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)but-2-en-1-ol
CID 15188592
(E)-5-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-2-methylpent-2-en-1-ol
CID 21727422
(Z)-2-methyl-4-(3-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)but-2-en-1-ol
CID 21727430
4-(4-Methylpent-3-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 21762574
(2E,6E,10E,14E)-1-ethylsulfonyl-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369968
(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-1-methylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369970
(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369972
(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-1-propylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 19369973

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfonylhex-4-en-3-ol?
The IUPAC name of 5-methyl-2-methylsulfonylhex-4-en-3-ol (CID 115817162) is 5-methyl-2-methylsulfonylhex-4-en-3-ol.
What is the SMILES notation for 5-methyl-2-methylsulfonylhex-4-en-3-ol?
The canonical SMILES for 5-methyl-2-methylsulfonylhex-4-en-3-ol is CC(C)=CC(O)C(C)S(C)(=O)=O.
What is the InChIKey of 5-methyl-2-methylsulfonylhex-4-en-3-ol?
The InChIKey is YSWOUGVUHDWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-6(2)5-8(9)7(3)12(4,10)11/h5,7-9H,1-4H3.
What are the key properties of 5-methyl-2-methylsulfonylhex-4-en-3-ol?
5-methyl-2-methylsulfonylhex-4-en-3-ol has a molecular weight of 192.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfonylhex-4-en-3-ol is sourced from PubChem (CID 115817162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).