methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate

C17H24O3Si — CID 67983384

IUPACmethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
SMILESCOC(=O)C#Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H24O3Si/c1-17(2,3)21(5,6)20-13-15-9-7-14(8-10-15)11-12-16(18)19-4/h7-10H,13H2,1-6H3
InChIKeyUJZSKMVYNCRKPE-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.73
Rot. Bonds3

About methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate

methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate (PubChem CID 67983384) has the molecular formula C17H24O3Si and a molecular weight of 304.46 g/mol. Its IUPAC name is methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
PubChem CID67983384
Molecular FormulaC17H24O3Si
Molecular Weight304.46 g/mol
Exact Mass304.15
IUPAC Namemethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
SMILESCOC(=O)C#Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H24O3Si/c1-17(2,3)21(5,6)20-13-15-9-7-14(8-10-15)11-12-16(18)19-4/h7-10H,13H2,1-6H3
InChIKeyUJZSKMVYNCRKPE-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]propanedioate
CID 123651815
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methoxy-N-methylbenzamide
CID 89407391
methyl 3-(4-butylphenyl)prop-2-ynoate
CID 146002794
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
CID 162121800

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate?
The IUPAC name of methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate (CID 67983384) is methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate.
What is the SMILES notation for methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate?
The canonical SMILES for methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate is COC(=O)C#Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate?
The InChIKey is UJZSKMVYNCRKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3Si/c1-17(2,3)21(5,6)20-13-15-9-7-14(8-10-15)11-12-16(18)19-4/h7-10H,13H2,1-6H3.
What are the key properties of methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate?
methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate has a molecular weight of 304.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate is sourced from PubChem (CID 67983384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).