tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane

C37H48O2Si — CID 71545551

IUPACtert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC/C=C1/C[C@@H](CCc2ccccc2)O[C@@H](C2CCCCC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48O2Si/c1-37(2,3)40(34-20-12-6-13-21-34,35-22-14-7-15-23-35)38-27-26-31-28-33(25-24-30-16-8-4-9-17-30)39-36(29-31)32-18-10-5-11-19-32/h4,6-9,12-17,20-23,26,32-33,36H,5,10-11,18-19,24-25,27-29H2,1-3H3/b31-26-/t33-,36-/m1/s1
InChIKeyPIKDEXZDMHSGEY-MIXHBFSKSA-N
MW552.88 g/mol
LogP8.25
Rot. Bonds9

About tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane

tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane (PubChem CID 71545551) has the molecular formula C37H48O2Si and a molecular weight of 552.88 g/mol. Its IUPAC name is tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
PubChem CID71545551
Molecular FormulaC37H48O2Si
Molecular Weight552.88 g/mol
Exact Mass552.34
IUPAC Nametert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC/C=C1/C[C@@H](CCc2ccccc2)O[C@@H](C2CCCCC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H48O2Si/c1-37(2,3)40(34-20-12-6-13-21-34,35-22-14-7-15-23-35)38-27-26-31-28-33(25-24-30-16-8-4-9-17-30)39-36(29-31)32-18-10-5-11-19-32/h4,6-9,12-17,20-23,26,32-33,36H,5,10-11,18-19,24-25,27-29H2,1-3H3/b31-26-/t33-,36-/m1/s1
InChIKeyPIKDEXZDMHSGEY-MIXHBFSKSA-N
XLogP8.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.88
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[(2E)-2-[(2R,6R)-2-tert-butyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 71545715
6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-cyclohexyl-2,3-dihydropyran-4-one
CID 53392022
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane
CID 19694134
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
1-[(2R,4R,6S)-4-bromo-6-(2-phenylethyl)oxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 134934680
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974176

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane (CID 71545551) is tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane is CC(C)(C)[Si](OC/C=C1/C[C@@H](CCc2ccccc2)O[C@@H](C2CCCCC2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?
The InChIKey is PIKDEXZDMHSGEY-MIXHBFSKSA-N. The full InChI is InChI=1S/C37H48O2Si/c1-37(2,3)40(34-20-12-6-13-21-34,35-22-14-7-15-23-35)38-27-26-31-28-33(25-24-30-16-8-4-9-17-30)39-36(29-31)32-18-10-5-11-19-32/h4,6-9,12-17,20-23,26,32-33,36H,5,10-11,18-19,24-25,27-29H2,1-3H3/b31-26-/t33-,36-/m1/s1.
What are the key properties of tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane?
tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane has a molecular weight of 552.88 g/mol, XLogP of 8.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2Z)-2-[(2R,6R)-2-cyclohexyl-6-(2-phenylethyl)oxan-4-ylidene]ethoxy]-diphenylsilane is sourced from PubChem (CID 71545551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).