4-methylsulfonylpent-1-en-3-ol

C6H12O3S — CID 115814866

IUPAC4-methylsulfonylpent-1-en-3-ol
SMILESC=CC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-4-6(7)5(2)10(3,8)9/h4-7H,1H2,2-3H3
InChIKeyUJMYDHGMVDYHKQ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.03
Rot. Bonds3

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

4-methylsulfonylpent-1-en-3-ol (PubChem CID 115814866) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methylsulfonylpent-1-en-3-ol.

Molecular Properties

Compound Name4-methylsulfonylpent-1-en-3-ol
PubChem CID115814866
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name4-methylsulfonylpent-1-en-3-ol
SMILESC=CC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-4-6(7)5(2)10(3,8)9/h4-7H,1H2,2-3H3
InChIKeyUJMYDHGMVDYHKQ-UHFFFAOYSA-N
XLogP-0.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.03
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

Thiophene-3-ol, 2,3-dihydro-, 1,1-dioxide
CID 201549
3-Methyl-4-hydroxy-2-sulfolene
CID 12239386
(3R)-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 7059039
(E)-3-butylsulfonylprop-2-en-1-ol
CID 13285010
(E,3S)-1-tert-butylsulfonyl-4,4-dimethylpent-1-en-3-ol
CID 102026405
(E,3S)-1-[(R)-methylsulfinyl]hex-1-en-3-ol
CID 10057836
(E,3R)-1-methylsulfinylhex-1-en-3-ol
CID 10057837
(E,3S)-1-[(S)-methylsulfinyl]hex-1-en-3-ol
CID 10103460
(E)-4-tert-butylsulfonylbut-3-en-2-ol
CID 14224806
(3S)-1,1-dioxo-2,3-dihydrothiophen-3-ol
CID 7059040
(E)-4-methylsulfonylbut-3-en-2-ol
CID 12543472
1-Ethenylsulfonylhex-5-en-2-ol
CID 22095653

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpent-1-en-3-ol?
The IUPAC name of 4-methylsulfonylpent-1-en-3-ol (CID 115814866) is 4-methylsulfonylpent-1-en-3-ol.
What is the SMILES notation for 4-methylsulfonylpent-1-en-3-ol?
The canonical SMILES for 4-methylsulfonylpent-1-en-3-ol is C=CC(O)C(C)S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonylpent-1-en-3-ol?
The InChIKey is UJMYDHGMVDYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-4-6(7)5(2)10(3,8)9/h4-7H,1H2,2-3H3.
What are the key properties of 4-methylsulfonylpent-1-en-3-ol?
4-methylsulfonylpent-1-en-3-ol has a molecular weight of 164.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpent-1-en-3-ol is sourced from PubChem (CID 115814866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).