tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane

C29H32OSi — CID 23631659

IUPACtert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H](c1ccccc1)[C@@H]1C=CC=CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32OSi/c1-29(2,3)31(26-20-12-6-13-21-26,27-22-14-7-15-23-27)30-28(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h4-18,20-23,25,28H,19H2,1-3H3/t25-,28+/m1/s1
InChIKeyBTCODLHPFIZNID-NAKRPHOHSA-N
MW424.66 g/mol
LogP6.44
Rot. Bonds6

About tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane

tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane (PubChem CID 23631659) has the molecular formula C29H32OSi and a molecular weight of 424.66 g/mol. Its IUPAC name is tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane
PubChem CID23631659
Molecular FormulaC29H32OSi
Molecular Weight424.66 g/mol
Exact Mass424.22
IUPAC Nametert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H](c1ccccc1)[C@@H]1C=CC=CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32OSi/c1-29(2,3)31(26-20-12-6-13-21-26,27-22-14-7-15-23-27)30-28(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h4-18,20-23,25,28H,19H2,1-3H3/t25-,28+/m1/s1
InChIKeyBTCODLHPFIZNID-NAKRPHOHSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane
CID 57379185
[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4,4,4-trifluorobutanal
CID 91243665
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 102031533
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140818524

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane (CID 23631659) is tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane is CC(C)(C)[Si](O[C@@H](c1ccccc1)[C@@H]1C=CC=CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane?
The InChIKey is BTCODLHPFIZNID-NAKRPHOHSA-N. The full InChI is InChI=1S/C29H32OSi/c1-29(2,3)31(26-20-12-6-13-21-26,27-22-14-7-15-23-27)30-28(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h4-18,20-23,25,28H,19H2,1-3H3/t25-,28+/m1/s1.
What are the key properties of tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane?
tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane has a molecular weight of 424.66 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane is sourced from PubChem (CID 23631659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).