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

C7H14O3S — CID 115814711

IUPAC4-methyl-4-methylsulfonylpent-1-en-3-ol
SMILESC=CC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-5-6(8)7(2,3)11(4,9)10/h5-6,8H,1H2,2-4H3
InChIKeySWVNXLGFOQMAKL-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.36
Rot. Bonds3

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

4-methyl-4-methylsulfonylpent-1-en-3-ol (PubChem CID 115814711) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-methyl-4-methylsulfonylpent-1-en-3-ol.

Molecular Properties

Compound Name4-methyl-4-methylsulfonylpent-1-en-3-ol
PubChem CID115814711
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name4-methyl-4-methylsulfonylpent-1-en-3-ol
SMILESC=CC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-5-6(8)7(2,3)11(4,9)10/h5-6,8H,1H2,2-4H3
InChIKeySWVNXLGFOQMAKL-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
(E,3S)-1-tert-butylsulfonyl-4,4-dimethylpent-1-en-3-ol
CID 102026405
(E)-4-tert-butylsulfonylbut-3-en-2-ol
CID 14224806
2-Methyl-4-methylsulfonylpent-1-en-3-ol
CID 89205979
3-Methylidene-1-methylsulfonylpent-4-en-2-ol
CID 142922321
1-(1,1-Dioxido-2,3-dihydro-3-thienyl)ethanol
CID 13901430
(2S)-1-methylsulfinylbut-3-en-2-ol
CID 101849954
1-Methylsulfonylpent-4-en-2-ol
CID 115601041
1-Methylsulfonylhex-5-en-2-ol
CID 115631210
2-Methyl-2-methylsulfonylhex-5-en-3-ol
CID 115778628
2-Methylsulfonylhex-5-en-3-ol
CID 115778765
4-Methylsulfonylpent-1-en-3-ol
CID 115814866

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-methylsulfonylpent-1-en-3-ol?
The IUPAC name of 4-methyl-4-methylsulfonylpent-1-en-3-ol (CID 115814711) is 4-methyl-4-methylsulfonylpent-1-en-3-ol.
What is the SMILES notation for 4-methyl-4-methylsulfonylpent-1-en-3-ol?
The canonical SMILES for 4-methyl-4-methylsulfonylpent-1-en-3-ol is C=CC(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-methyl-4-methylsulfonylpent-1-en-3-ol?
The InChIKey is SWVNXLGFOQMAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-5-6(8)7(2,3)11(4,9)10/h5-6,8H,1H2,2-4H3.
What are the key properties of 4-methyl-4-methylsulfonylpent-1-en-3-ol?
4-methyl-4-methylsulfonylpent-1-en-3-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-4-methylsulfonylpent-1-en-3-ol is sourced from PubChem (CID 115814711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).