dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane

C21H28OSi — CID 15316565

IUPACdimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
SMILESC[C@H](/C=C/C[Si](C)(C)c1ccccc1)COCc1ccccc1
InChIInChI=1S/C21H28OSi/c1-19(17-22-18-20-12-6-4-7-13-20)11-10-16-23(2,3)21-14-8-5-9-15-21/h4-15,19H,16-18H2,1-3H3/b11-10+/t19-/m1/s1
InChIKeyJZNVCGQNAGVAQV-GNISGLHKSA-N
MW324.54 g/mol
LogP5.01
Rot. Bonds8

About dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane

dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane (PubChem CID 15316565) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
PubChem CID15316565
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Namedimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
SMILESC[C@H](/C=C/C[Si](C)(C)c1ccccc1)COCc1ccccc1
InChIInChI=1S/C21H28OSi/c1-19(17-22-18-20-12-6-4-7-13-20)11-10-16-23(2,3)21-14-8-5-9-15-21/h4-15,19H,16-18H2,1-3H3/b11-10+/t19-/m1/s1
InChIKeyJZNVCGQNAGVAQV-GNISGLHKSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.01
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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Related Compounds

(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol
CID 102275586
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
trimethyl-[(Z,4R)-4-methyl-1-phenyl-5-phenylmethoxypent-2-en-2-yl]silane
CID 101162239
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
CID 10984659
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
CID 11253675
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 10358052

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane?
The IUPAC name of dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane (CID 15316565) is dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane.
What is the SMILES notation for dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane?
The canonical SMILES for dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane is C[C@H](/C=C/C[Si](C)(C)c1ccccc1)COCc1ccccc1.
What is the InChIKey of dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane?
The InChIKey is JZNVCGQNAGVAQV-GNISGLHKSA-N. The full InChI is InChI=1S/C21H28OSi/c1-19(17-22-18-20-12-6-4-7-13-20)11-10-16-23(2,3)21-14-8-5-9-15-21/h4-15,19H,16-18H2,1-3H3/b11-10+/t19-/m1/s1.
What are the key properties of dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane?
dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane has a molecular weight of 324.54 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane is sourced from PubChem (CID 15316565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).