(E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol

C13H18O2S — CID 101222898

IUPAC(E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol
SMILESC/C(=C\CS(=O)c1ccccc1)C(C)(C)O
InChIInChI=1S/C13H18O2S/c1-11(13(2,3)14)9-10-16(15)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3/b11-9+
InChIKeyJOZOOHANKKHIRC-PKNBQFBNSA-N
MW238.35 g/mol
LogP2.51
Rot. Bonds4

About (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol

(E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol (PubChem CID 101222898) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol
PubChem CID101222898
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol
SMILESC/C(=C\CS(=O)c1ccccc1)C(C)(C)O
InChIInChI=1S/C13H18O2S/c1-11(13(2,3)14)9-10-16(15)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3/b11-9+
InChIKeyJOZOOHANKKHIRC-PKNBQFBNSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,6E)-8-(benzenesulfinyl)-2,2-dimethylocta-4,6-dien-3-ol
CID 102297346
(E)-4-(benzenesulfinyl)-3-bromo-2-methylbut-3-en-2-ol
CID 134935679
[(E)-8-(benzenesulfinyl)-6-methyloct-6-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 10090971
3-(benzenesulfinyl)-N,N-dimethylprop-1-en-1-amine
CID 173361526
ethylsulfinylbenzene;palladium
CID 174712422
2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
1-(benzenesulfinyl)-2-phenyl-4-trimethylsilylbut-3-yn-2-ol
CID 15653946
2-(benzenesulfinyl)acetate
CID 23432658
1-tert-butyl-3-[3-[[(S)-phenylsulfinyl]methyl]phenyl]urea
CID 95975369
2-(benzenesulfinyl)-N,N-dimethylacetamide
CID 25183887

Frequently Asked Questions

What is the IUPAC name of (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol?
The IUPAC name of (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol (CID 101222898) is (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol.
What is the SMILES notation for (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol?
The canonical SMILES for (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol is C/C(=C\CS(=O)c1ccccc1)C(C)(C)O.
What is the InChIKey of (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol?
The InChIKey is JOZOOHANKKHIRC-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H18O2S/c1-11(13(2,3)14)9-10-16(15)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3/b11-9+.
What are the key properties of (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol?
(E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol has a molecular weight of 238.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(benzenesulfinyl)-2,3-dimethylpent-3-en-2-ol is sourced from PubChem (CID 101222898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).