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

C17H26O3Si — CID 90282017

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)O)c(C2CC2)c1
InChIInChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-14-9-8-13(10-16(18)19)15(11-14)12-6-7-12/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyRPGZGVXQDLMWPM-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.58
Rot. Bonds5

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

2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid (PubChem CID 90282017) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
PubChem CID90282017
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)O)c(C2CC2)c1
InChIInChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-14-9-8-13(10-16(18)19)15(11-14)12-6-7-12/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyRPGZGVXQDLMWPM-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.58
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

benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
CID 89451937
tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane
CID 123543727
2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167714702
ethyl 4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-hydroxycyclohexane-1-carboxylate
CID 54205606
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
CID 18443665
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 67396211
2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetic acid
CID 167715814
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 123547238
(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403845
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid (CID 90282017) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid is CC(C)(C)[Si](C)(C)Oc1ccc(CC(=O)O)c(C2CC2)c1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid?
The InChIKey is RPGZGVXQDLMWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-14-9-8-13(10-16(18)19)15(11-14)12-6-7-12/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid?
2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid has a molecular weight of 306.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid is sourced from PubChem (CID 90282017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).