(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol

C20H34O3Si — CID 11057242

IUPAC(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)OC/C(=C\CO)COCc1ccccc1
InChIInChI=1S/C20H34O3Si/c1-17(2)20(3,4)24(5,6)23-16-19(12-13-21)15-22-14-18-10-8-7-9-11-18/h7-12,17,21H,13-16H2,1-6H3/b19-12-
InChIKeyJFXCUSCXOWTQET-UNOMPAQXSA-N
MW350.58 g/mol
LogP4.78
Rot. Bonds10

About (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol

(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol (PubChem CID 11057242) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol
PubChem CID11057242
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)OC/C(=C\CO)COCc1ccccc1
InChIInChI=1S/C20H34O3Si/c1-17(2)20(3,4)24(5,6)23-16-19(12-13-21)15-22-14-18-10-8-7-9-11-18/h7-12,17,21H,13-16H2,1-6H3/b19-12-
InChIKeyJFXCUSCXOWTQET-UNOMPAQXSA-N
XLogP4.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane
CID 102420728
[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl] acetate
CID 15450715
benzyl N-[(2R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
CID 10906568
[(E,4R,5R,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyl-9-phenylmethoxynon-2-enoxy]-tert-butyl-dimethylsilane
CID 11763772
(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
CID 102004119
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
2-hydroxy-2-methyl-3-oxo-4-phenylmethoxybutanoic acid
CID 175175859
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol
CID 101190578
benzyl (2R,3R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
CID 11730152

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol?
The IUPAC name of (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol (CID 11057242) is (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol.
What is the SMILES notation for (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol?
The canonical SMILES for (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol is CC(C)C(C)(C)[Si](C)(C)OC/C(=C\CO)COCc1ccccc1.
What is the InChIKey of (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol?
The InChIKey is JFXCUSCXOWTQET-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-17(2)20(3,4)24(5,6)23-16-19(12-13-21)15-22-14-18-10-8-7-9-11-18/h7-12,17,21H,13-16H2,1-6H3/b19-12-.
What are the key properties of (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol?
(Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol has a molecular weight of 350.58 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-4-phenylmethoxybut-2-en-1-ol is sourced from PubChem (CID 11057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).