6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid

C20H30O3Si — CID 21107237

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid
SMILESCc1cc2c(cc1O[Si](C)(C)C(C)(C)C)C(C)(C)CC=C2C(=O)O
InChIInChI=1S/C20H30O3Si/c1-13-11-15-14(18(21)22)9-10-20(5,6)16(15)12-17(13)23-24(7,8)19(2,3)4/h9,11-12H,10H2,1-8H3,(H,21,22)
InChIKeyLGHLRNFFNDFEDK-UHFFFAOYSA-N
MW346.54 g/mol
LogP5.53
Rot. Bonds3

About 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid

6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid (PubChem CID 21107237) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid
PubChem CID21107237
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid
SMILESCc1cc2c(cc1O[Si](C)(C)C(C)(C)C)C(C)(C)CC=C2C(=O)O
InChIInChI=1S/C20H30O3Si/c1-13-11-15-14(18(21)22)9-10-20(5,6)16(15)12-17(13)23-24(7,8)19(2,3)4/h9,11-12H,10H2,1-8H3,(H,21,22)
InChIKeyLGHLRNFFNDFEDK-UHFFFAOYSA-N
XLogP5.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid (CID 21107237) is 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid is Cc1cc2c(cc1O[Si](C)(C)C(C)(C)C)C(C)(C)CC=C2C(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid?
The InChIKey is LGHLRNFFNDFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-13-11-15-14(18(21)22)9-10-20(5,6)16(15)12-17(13)23-24(7,8)19(2,3)4/h9,11-12H,10H2,1-8H3,(H,21,22).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid?
6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid has a molecular weight of 346.54 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethyl-3H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 21107237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).