2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid

C17H26O3Si — CID 167714702

IUPAC2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C(CC(=O)O)CC2
InChIInChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-14-9-8-12-6-7-13(10-16(18)19)15(12)11-14/h8-9,11,13H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyGUKBQCBVNGUPGE-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.58
Rot. Bonds4

About 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 167714702) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID167714702
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C(CC(=O)O)CC2
InChIInChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-14-9-8-12-6-7-13(10-16(18)19)15(12)11-14/h8-9,11,13H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyGUKBQCBVNGUPGE-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetic acid
CID 90282017
2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 105474204
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
CID 89451937
[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate
CID 66557273
tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane
CID 123543727
2-(4-bromo-6-fluorooxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 67720113
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 110447418

Frequently Asked Questions

What is the IUPAC name of 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 167714702) is 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C(CC(=O)O)CC2.
What is the InChIKey of 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is GUKBQCBVNGUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-14-9-8-12-6-7-13(10-16(18)19)15(12)11-14/h8-9,11,13H,6-7,10H2,1-5H3,(H,18,19).
What are the key properties of 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 306.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 167714702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).