(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol

C16H26O3SSi — CID 10806076

IUPAC(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol
SMILESCC(O)CC(/C=C/C[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26O3SSi/c1-14(17)13-16(11-8-12-21(2,3)4)20(18,19)15-9-6-5-7-10-15/h5-11,14,16-17H,12-13H2,1-4H3/b11-8+
InChIKeyJIOSYFYTCAHCED-DHZHZOJOSA-N
MW326.53 g/mol
LogP3.49
Rot. Bonds7

About (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol

(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol (PubChem CID 10806076) has the molecular formula C16H26O3SSi and a molecular weight of 326.53 g/mol. Its IUPAC name is (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol.

Molecular Properties

Compound Name(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol
PubChem CID10806076
Molecular FormulaC16H26O3SSi
Molecular Weight326.53 g/mol
Exact Mass326.14
IUPAC Name(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol
SMILESCC(O)CC(/C=C/C[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26O3SSi/c1-14(17)13-16(11-8-12-21(2,3)4)20(18,19)15-9-6-5-7-10-15/h5-11,14,16-17H,12-13H2,1-4H3/b11-8+
InChIKeyJIOSYFYTCAHCED-DHZHZOJOSA-N
XLogP3.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-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

4-(benzenesulfonyl)pentan-2-ol
CID 12920591
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
benzenesulfonic acid;pentane-2,4-diol
CID 88719615
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
(E)-3-(benzenesulfonyl)dec-4-enoic acid
CID 69261483
(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol
CID 11335668
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761

Frequently Asked Questions

What is the IUPAC name of (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol?
The IUPAC name of (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol (CID 10806076) is (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol.
What is the SMILES notation for (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol?
The canonical SMILES for (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol is CC(O)CC(/C=C/C[Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol?
The InChIKey is JIOSYFYTCAHCED-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H26O3SSi/c1-14(17)13-16(11-8-12-21(2,3)4)20(18,19)15-9-6-5-7-10-15/h5-11,14,16-17H,12-13H2,1-4H3/b11-8+.
What are the key properties of (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol?
(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol has a molecular weight of 326.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol is sourced from PubChem (CID 10806076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).