2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid

C20H24O3Si — CID 67253789

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H24O3Si/c1-16(19(21)22)15-23-24(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,1,15H2,2-4H3,(H,21,22)
InChIKeyKBPLVIBGVRKWLG-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.20
Rot. Bonds6

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid

2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid (PubChem CID 67253789) has the molecular formula C20H24O3Si and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
PubChem CID67253789
Molecular FormulaC20H24O3Si
Molecular Weight340.50 g/mol
Exact Mass340.15
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H24O3Si/c1-16(19(21)22)15-23-24(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,1,15H2,2-4H3,(H,21,22)
InChIKeyKBPLVIBGVRKWLG-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827420

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid (CID 67253789) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid?
The InChIKey is KBPLVIBGVRKWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3Si/c1-16(19(21)22)15-23-24(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,1,15H2,2-4H3,(H,21,22).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid has a molecular weight of 340.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid is sourced from PubChem (CID 67253789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).