[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane

C20H26OSi — CID 102436050

IUPAC[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane
SMILESC=C[C@H]([C@H](Cc1ccccc1)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-5-20(22(3,4)18-14-10-7-11-15-18)19(21-2)16-17-12-8-6-9-13-17/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m0/s1
InChIKeyPYAVDKLKCRSGBQ-VQTJNVASSA-N
MW310.51 g/mol
LogP4.42
Rot. Bonds7

About [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane

[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane (PubChem CID 102436050) has the molecular formula C20H26OSi and a molecular weight of 310.51 g/mol. Its IUPAC name is [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane
PubChem CID102436050
Molecular FormulaC20H26OSi
Molecular Weight310.51 g/mol
Exact Mass310.18
IUPAC Name[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane
SMILESC=C[C@H]([C@H](Cc1ccccc1)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-5-20(22(3,4)18-14-10-7-11-15-18)19(21-2)16-17-12-8-6-9-13-17/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m0/s1
InChIKeyPYAVDKLKCRSGBQ-VQTJNVASSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane?
The IUPAC name of [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane (CID 102436050) is [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane is C=C[C@H]([C@H](Cc1ccccc1)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane?
The InChIKey is PYAVDKLKCRSGBQ-VQTJNVASSA-N. The full InChI is InChI=1S/C20H26OSi/c1-5-20(22(3,4)18-14-10-7-11-15-18)19(21-2)16-17-12-8-6-9-13-17/h5-15,19-20H,1,16H2,2-4H3/t19-,20+/m0/s1.
What are the key properties of [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane?
[(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane has a molecular weight of 310.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-methoxy-5-phenylpent-1-en-3-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 102436050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).