methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane

C29H36OSi — CID 132576559

IUPACmethyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane
SMILESC[C@H](/C=C/[Si](C)(c1ccccc1)c1ccccc1)[C@H](OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36OSi/c1-24(28(29(2,3)4)30-23-25-15-9-6-10-16-25)21-22-31(5,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-22,24,28H,23H2,1-5H3/b22-21+/t24-,28+/m1/s1
InChIKeySAIHROCEKNVENH-FOSSNDPFSA-N
MW428.69 g/mol
LogP6.24
Rot. Bonds8

About methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane

methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane (PubChem CID 132576559) has the molecular formula C29H36OSi and a molecular weight of 428.69 g/mol. Its IUPAC name is methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane.

Molecular Properties

Compound Namemethyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane
PubChem CID132576559
Molecular FormulaC29H36OSi
Molecular Weight428.69 g/mol
Exact Mass428.25
IUPAC Namemethyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane
SMILESC[C@H](/C=C/[Si](C)(c1ccccc1)c1ccccc1)[C@H](OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36OSi/c1-24(28(29(2,3)4)30-23-25-15-9-6-10-16-25)21-22-31(5,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-22,24,28H,23H2,1-5H3/b22-21+/t24-,28+/m1/s1
InChIKeySAIHROCEKNVENH-FOSSNDPFSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane?
The IUPAC name of methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane (CID 132576559) is methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane.
What is the SMILES notation for methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane?
The canonical SMILES for methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane is C[C@H](/C=C/[Si](C)(c1ccccc1)c1ccccc1)[C@H](OCc1ccccc1)C(C)(C)C.
What is the InChIKey of methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane?
The InChIKey is SAIHROCEKNVENH-FOSSNDPFSA-N. The full InChI is InChI=1S/C29H36OSi/c1-24(28(29(2,3)4)30-23-25-15-9-6-10-16-25)21-22-31(5,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-22,24,28H,23H2,1-5H3/b22-21+/t24-,28+/m1/s1.
What are the key properties of methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane?
methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane has a molecular weight of 428.69 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-[(E,3R,4S)-3,5,5-trimethyl-4-phenylmethoxyhex-1-enyl]silane is sourced from PubChem (CID 132576559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).