[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane

C28H34OSi — CID 101273387

IUPAC[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane
SMILESC=C(C[Si](C)(C)c1ccccc1)[C@H](CCc1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C28H34OSi/c1-23(22-30(3,4)26-18-12-7-13-19-26)27(21-20-24-14-8-5-9-15-24)28(29-2)25-16-10-6-11-17-25/h5-19,27-28H,1,20-22H2,2-4H3/t27-,28-/m0/s1
InChIKeyGWTQMJFLYGHTKW-NSOVKSMOSA-N
MW414.67 g/mol
LogP6.79
Rot. Bonds10

About [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane

[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane (PubChem CID 101273387) has the molecular formula C28H34OSi and a molecular weight of 414.67 g/mol. Its IUPAC name is [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane
PubChem CID101273387
Molecular FormulaC28H34OSi
Molecular Weight414.67 g/mol
Exact Mass414.24
IUPAC Name[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane
SMILESC=C(C[Si](C)(C)c1ccccc1)[C@H](CCc1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C28H34OSi/c1-23(22-30(3,4)26-18-12-7-13-19-26)27(21-20-24-14-8-5-9-15-24)28(29-2)25-16-10-6-11-17-25/h5-19,27-28H,1,20-22H2,2-4H3/t27-,28-/m0/s1
InChIKeyGWTQMJFLYGHTKW-NSOVKSMOSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 56.79
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 [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane?
The IUPAC name of [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane (CID 101273387) is [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane?
The canonical SMILES for [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane is C=C(C[Si](C)(C)c1ccccc1)[C@H](CCc1ccccc1)[C@@H](OC)c1ccccc1.
What is the InChIKey of [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane?
The InChIKey is GWTQMJFLYGHTKW-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H34OSi/c1-23(22-30(3,4)26-18-12-7-13-19-26)27(21-20-24-14-8-5-9-15-24)28(29-2)25-16-10-6-11-17-25/h5-19,27-28H,1,20-22H2,2-4H3/t27-,28-/m0/s1.
What are the key properties of [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane?
[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane has a molecular weight of 414.67 g/mol, XLogP of 6.79, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane is sourced from PubChem (CID 101273387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).