[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate

C32H40O5Si — CID 101059127

IUPAC[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate
SMILESCC[C@H](/C=C/c1c(OC)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC)OC(C)=O
InChIInChI=1S/C32H40O5Si/c1-8-26(37-24(2)33)19-20-29-30(34-6)21-25(22-31(29)35-7)23-36-38(32(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-22,26H,8,23H2,1-7H3/b20-19+/t26-/m1/s1
InChIKeyDFEOAWSAYYJRIV-MYXIRXPSSA-N
MW532.75 g/mol
LogP6.14
Rot. Bonds11

About [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate

[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate (PubChem CID 101059127) has the molecular formula C32H40O5Si and a molecular weight of 532.75 g/mol. Its IUPAC name is [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate
PubChem CID101059127
Molecular FormulaC32H40O5Si
Molecular Weight532.75 g/mol
Exact Mass532.26
IUPAC Name[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate
SMILESCC[C@H](/C=C/c1c(OC)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC)OC(C)=O
InChIInChI=1S/C32H40O5Si/c1-8-26(37-24(2)33)19-20-29-30(34-6)21-25(22-31(29)35-7)23-36-38(32(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-22,26H,8,23H2,1-7H3/b20-19+/t26-/m1/s1
InChIKeyDFEOAWSAYYJRIV-MYXIRXPSSA-N
XLogP6.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.75
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate with MolForge

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Related Compounds

(2S)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyanilino]-3-phenylpropanoic acid
CID 70073946
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxycarbonylbenzoic acid
CID 10766489
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
(Z,4S,7R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]non-5-en-2-one
CID 71726038
[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
CID 10072767
1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenyl-6-phenylmethoxynaphthalen-2-yl]ethyl acetate
CID 10842123
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969

Frequently Asked Questions

What is the IUPAC name of [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate?
The IUPAC name of [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate (CID 101059127) is [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate.
What is the SMILES notation for [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate?
The canonical SMILES for [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate is CC[C@H](/C=C/c1c(OC)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC)OC(C)=O.
What is the InChIKey of [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate?
The InChIKey is DFEOAWSAYYJRIV-MYXIRXPSSA-N. The full InChI is InChI=1S/C32H40O5Si/c1-8-26(37-24(2)33)19-20-29-30(34-6)21-25(22-31(29)35-7)23-36-38(32(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-22,26H,8,23H2,1-7H3/b20-19+/t26-/m1/s1.
What are the key properties of [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate?
[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate has a molecular weight of 532.75 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate is sourced from PubChem (CID 101059127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).