tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane

C22H30OSi — CID 23727938

IUPACtert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30OSi/c1-6-13-19(2)18-23-24(22(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h6-12,14-17,19H,1,13,18H2,2-5H3/t19-/m1/s1
InChIKeyHACMKFYXTRPWQR-LJQANCHMSA-N
MW338.57 g/mol
LogP4.78
Rot. Bonds7

About tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane

tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane (PubChem CID 23727938) has the molecular formula C22H30OSi and a molecular weight of 338.57 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane
PubChem CID23727938
Molecular FormulaC22H30OSi
Molecular Weight338.57 g/mol
Exact Mass338.21
IUPAC Nametert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30OSi/c1-6-13-19(2)18-23-24(22(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h6-12,14-17,19H,1,13,18H2,2-5H3/t19-/m1/s1
InChIKeyHACMKFYXTRPWQR-LJQANCHMSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 54.78
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-[(2R)-2-methylpent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane (CID 23727938) is tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane is C=CC[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane?
The InChIKey is HACMKFYXTRPWQR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30OSi/c1-6-13-19(2)18-23-24(22(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h6-12,14-17,19H,1,13,18H2,2-5H3/t19-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane?
tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane has a molecular weight of 338.57 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-methylpent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 23727938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).