benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate

C24H32O3Si — CID 89451937

IUPACbenzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)OCc2ccccc2)c(C2CC2)c1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(4,5)27-21-14-13-20(22(16-21)19-11-12-19)15-23(25)26-17-18-9-7-6-8-10-18/h6-10,13-14,16,19H,11-12,15,17H2,1-5H3
InChIKeyPHLRFMKRWSOLBG-UHFFFAOYSA-N
MW396.60 g/mol
LogP6.23
Rot. Bonds7

About benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate

benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate (PubChem CID 89451937) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
PubChem CID89451937
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Namebenzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)OCc2ccccc2)c(C2CC2)c1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(4,5)27-21-14-13-20(22(16-21)19-11-12-19)15-23(25)26-17-18-9-7-6-8-10-18/h6-10,13-14,16,19H,11-12,15,17H2,1-5H3
InChIKeyPHLRFMKRWSOLBG-UHFFFAOYSA-N
XLogP6.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
CID 90282017
tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane
CID 123543727
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
CID 71744038
benzyl N-[[(8R,9S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-17-oxo-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-14-yl]oxy]carbamate
CID 10650271
2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167714702
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
benzyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 102575734
ethyl 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-hydroxycyclohexane-1-carboxylate
CID 54205606

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate?
The IUPAC name of benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate (CID 89451937) is benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate.
What is the SMILES notation for benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate?
The canonical SMILES for benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate is CC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)OCc2ccccc2)c(C2CC2)c1.
What is the InChIKey of benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate?
The InChIKey is PHLRFMKRWSOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(4,5)27-21-14-13-20(22(16-21)19-11-12-19)15-23(25)26-17-18-9-7-6-8-10-18/h6-10,13-14,16,19H,11-12,15,17H2,1-5H3.
What are the key properties of benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate?
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate has a molecular weight of 396.60 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate is sourced from PubChem (CID 89451937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).