tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane

C18H30OSi — CID 101349147

IUPACtert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
SMILESC=C(CCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSi/c1-15(13-14-17-11-9-8-10-12-17)16(2)19-20(6,7)18(3,4)5/h8-12,16H,1,13-14H2,2-7H3/t16-/m0/s1
InChIKeyNGTDHDLATSENMR-INIZCTEOSA-N
MW290.52 g/mol
LogP5.59
Rot. Bonds6

About tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane (PubChem CID 101349147) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
PubChem CID101349147
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Nametert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
SMILESC=C(CCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSi/c1-15(13-14-17-11-9-8-10-12-17)16(2)19-20(6,7)18(3,4)5/h8-12,16H,1,13-14H2,2-7H3/t16-/m0/s1
InChIKeyNGTDHDLATSENMR-INIZCTEOSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane (CID 101349147) is tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane is C=C(CCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane?
The InChIKey is NGTDHDLATSENMR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30OSi/c1-15(13-14-17-11-9-8-10-12-17)16(2)19-20(6,7)18(3,4)5/h8-12,16H,1,13-14H2,2-7H3/t16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane has a molecular weight of 290.52 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane is sourced from PubChem (CID 101349147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).