[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane

C29H28OSi — CID 101060034

IUPAC[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane
SMILESCOc1ccc([C@H]2C[C@@H]2C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28OSi/c1-30-25-19-17-23(18-20-25)29-21-24(29)22-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,24,29H,21-22H2,1H3/t24-,29-/m1/s1
InChIKeyLSQDCSYVXCOAGH-FUFSCUOVSA-N
MW420.63 g/mol
LogP4.97
Rot. Bonds7

About [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane

[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane (PubChem CID 101060034) has the molecular formula C29H28OSi and a molecular weight of 420.63 g/mol. Its IUPAC name is [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane.

Molecular Properties

Compound Name[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane
PubChem CID101060034
Molecular FormulaC29H28OSi
Molecular Weight420.63 g/mol
Exact Mass420.19
IUPAC Name[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane
SMILESCOc1ccc([C@H]2C[C@@H]2C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28OSi/c1-30-25-19-17-23(18-20-25)29-21-24(29)22-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,24,29H,21-22H2,1H3/t24-,29-/m1/s1
InChIKeyLSQDCSYVXCOAGH-FUFSCUOVSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane?
The IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane (CID 101060034) is [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane.
What is the SMILES notation for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane?
The canonical SMILES for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane is COc1ccc([C@H]2C[C@@H]2C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane?
The InChIKey is LSQDCSYVXCOAGH-FUFSCUOVSA-N. The full InChI is InChI=1S/C29H28OSi/c1-30-25-19-17-23(18-20-25)29-21-24(29)22-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,24,29H,21-22H2,1H3/t24-,29-/m1/s1.
What are the key properties of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane?
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane has a molecular weight of 420.63 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]methyl-triphenylsilane is sourced from PubChem (CID 101060034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).