[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane

C22H38OSi — CID 11198805

IUPAC[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H](C)[C@@H]1C[C@H]1CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi/c1-16(2)24(17(3)4,18(5)6)23-19(7)22-15-21(22)14-13-20-11-9-8-10-12-20/h8-12,16-19,21-22H,13-15H2,1-7H3/t19-,21+,22-/m0/s1
InChIKeyZTROULISUMSFDR-NNWRFLSQSA-N
MW346.63 g/mol
LogP6.84
Rot. Bonds9

About [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane

[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane (PubChem CID 11198805) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane
PubChem CID11198805
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Name[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H](C)[C@@H]1C[C@H]1CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi/c1-16(2)24(17(3)4,18(5)6)23-19(7)22-15-21(22)14-13-20-11-9-8-10-12-20/h8-12,16-19,21-22H,13-15H2,1-7H3/t19-,21+,22-/m0/s1
InChIKeyZTROULISUMSFDR-NNWRFLSQSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.84
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

Silane, trimethyl(2-phenylethoxy)-
CID 518978
Trimethyl(3-phenylpropoxy)silane
CID 518979
Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
CID 11100658
Silane, trimethyl[[1-(phenylmethyl)ethenyl]oxy]-
CID 10488516
[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965436
Ditert-butyl(3-phenylpropoxy)silane
CID 554567
Triethyl(3-phenylpropoxy)silane
CID 561771
Silane, triethyl(2-phenylethoxy)-
CID 610043
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
1-Di(tert-butyl)silyloxy-2-phenylethane
CID 6329257
Tert-butyldimethyl(3-phenylpropoxy)silane
CID 10083485

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane (CID 11198805) is [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H](C)[C@@H]1C[C@H]1CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane?
The InChIKey is ZTROULISUMSFDR-NNWRFLSQSA-N. The full InChI is InChI=1S/C22H38OSi/c1-16(2)24(17(3)4,18(5)6)23-19(7)22-15-21(22)14-13-20-11-9-8-10-12-20/h8-12,16-19,21-22H,13-15H2,1-7H3/t19-,21+,22-/m0/s1.
What are the key properties of [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane?
[(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane has a molecular weight of 346.63 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1R,2R)-2-(2-phenylethyl)cyclopropyl]ethoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11198805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).