5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C14H20O3Si — CID 167731553

IUPAC5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESC[Si](C)(C)Oc1cccc2c1CCCC2C(=O)O
InChIInChI=1S/C14H20O3Si/c1-18(2,3)17-13-9-5-6-10-11(13)7-4-8-12(10)14(15)16/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyJEDWKTSEFRBAKK-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.40
Rot. Bonds3

About 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 167731553) has the molecular formula C14H20O3Si and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID167731553
Molecular FormulaC14H20O3Si
Molecular Weight264.40 g/mol
Exact Mass264.12
IUPAC Name5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESC[Si](C)(C)Oc1cccc2c1CCCC2C(=O)O
InChIInChI=1S/C14H20O3Si/c1-18(2,3)17-13-9-5-6-10-11(13)7-4-8-12(10)14(15)16/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyJEDWKTSEFRBAKK-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.40
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

(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 10663350
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
6-trimethylsilyloxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 167742082
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
CID 59192533
CID 59192533

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 167731553) is 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is C[Si](C)(C)Oc1cccc2c1CCCC2C(=O)O.
What is the InChIKey of 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is JEDWKTSEFRBAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3Si/c1-18(2,3)17-13-9-5-6-10-11(13)7-4-8-12(10)14(15)16/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 264.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 167731553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).