2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid

C14H21ClO3Si — CID 70132721

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClO3Si/c1-14(2,3)19(4,5)18-12(13(16)17)10-6-8-11(15)9-7-10/h6-9,12H,1-5H3,(H,16,17)
InChIKeyBJOXZLLINMPXLP-UHFFFAOYSA-N
MW300.86 g/mol
LogP4.49
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid (PubChem CID 70132721) has the molecular formula C14H21ClO3Si and a molecular weight of 300.86 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
PubChem CID70132721
Molecular FormulaC14H21ClO3Si
Molecular Weight300.86 g/mol
Exact Mass300.09
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClO3Si/c1-14(2,3)19(4,5)18-12(13(16)17)10-6-8-11(15)9-7-10/h6-9,12H,1-5H3,(H,16,17)
InChIKeyBJOXZLLINMPXLP-UHFFFAOYSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
CID 10335827
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
CID 10912974
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
methyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)hex-4-enoate
CID 10926723
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614
(2R,3R)-N-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-chlorophenyl)-2-(phenylselanylmethyl)propanamide
CID 10506588

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid (CID 70132721) is 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid is CC(C)(C)[Si](C)(C)OC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid?
The InChIKey is BJOXZLLINMPXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3Si/c1-14(2,3)19(4,5)18-12(13(16)17)10-6-8-11(15)9-7-10/h6-9,12H,1-5H3,(H,16,17).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid has a molecular weight of 300.86 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 70132721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).