(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium

C18H28Cl3OSiTi — CID 10478498

IUPAC(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium
SMILESC=CC(CC/C=C/C[Si](C)(C)C)[C@H](O)c1ccccc1.Cl[Ti](Cl)Cl
InChIInChI=1S/C18H28OSi.3ClH.Ti/c1-5-16(12-10-7-11-15-20(2,3)4)18(19)17-13-8-6-9-14-17;;;;/h5-9,11,13-14,16,18-19H,1,10,12,15H2,2-4H3;3*1H;/q;;;;+3/p-3/b11-7+;;;;/t16?,18-;;;;/m0..../s1
InChIKeyWKKWWGQLTYYYNZ-RZJUARGOSA-K
MW442.73 g/mol
LogP7.26
Rot. Bonds8

About (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium

(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium (PubChem CID 10478498) has the molecular formula C18H28Cl3OSiTi and a molecular weight of 442.73 g/mol. Its IUPAC name is (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium.

Molecular Properties

Compound Name(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium
PubChem CID10478498
Molecular FormulaC18H28Cl3OSiTi
Molecular Weight442.73 g/mol
Exact Mass441.05
IUPAC Name(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium
SMILESC=CC(CC/C=C/C[Si](C)(C)C)[C@H](O)c1ccccc1.Cl[Ti](Cl)Cl
InChIInChI=1S/C18H28OSi.3ClH.Ti/c1-5-16(12-10-7-11-15-20(2,3)4)18(19)17-13-8-6-9-14-17;;;;/h5-9,11,13-14,16,18-19H,1,10,12,15H2,2-4H3;3*1H;/q;;;;+3/p-3/b11-7+;;;;/t16?,18-;;;;/m0..../s1
InChIKeyWKKWWGQLTYYYNZ-RZJUARGOSA-K
XLogP7.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium 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

(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
CID 139262045
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol
CID 11335668
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one
CID 11335171
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(1R,2R)-1,2-diphenyl-3-trimethylsilylpropan-1-ol
CID 124629266

Frequently Asked Questions

What is the IUPAC name of (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium?
The IUPAC name of (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium (CID 10478498) is (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium.
What is the SMILES notation for (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium?
The canonical SMILES for (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium is C=CC(CC/C=C/C[Si](C)(C)C)[C@H](O)c1ccccc1.Cl[Ti](Cl)Cl.
What is the InChIKey of (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium?
The InChIKey is WKKWWGQLTYYYNZ-RZJUARGOSA-K. The full InChI is InChI=1S/C18H28OSi.3ClH.Ti/c1-5-16(12-10-7-11-15-20(2,3)4)18(19)17-13-8-6-9-14-17;;;;/h5-9,11,13-14,16,18-19H,1,10,12,15H2,2-4H3;3*1H;/q;;;;+3/p-3/b11-7+;;;;/t16?,18-;;;;/m0..../s1.
What are the key properties of (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium?
(E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium has a molecular weight of 442.73 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,2R)-2-ethenyl-1-phenyl-7-trimethylsilylhept-5-en-1-ol;trichlorotitanium is sourced from PubChem (CID 10478498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).