4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid

C22H32O3Si — CID 11717699

IUPAC4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid
SMILESCC(C)[Si](OCCc1ccc(C(=O)O)c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C22H32O3Si/c1-15(2)26(16(3)4,17(5)6)25-14-13-18-11-12-21(22(23)24)20-10-8-7-9-19(18)20/h7-12,15-17H,13-14H2,1-6H3,(H,23,24)
InChIKeySLCXUHRSOUSOQM-UHFFFAOYSA-N
MW372.58 g/mol
LogP6.27
Rot. Bonds8

About 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid

4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid (PubChem CID 11717699) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid
PubChem CID11717699
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Name4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid
SMILESCC(C)[Si](OCCc1ccc(C(=O)O)c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C22H32O3Si/c1-15(2)26(16(3)4,17(5)6)25-14-13-18-11-12-21(22(23)24)20-10-8-7-9-19(18)20/h7-12,15-17H,13-14H2,1-6H3,(H,23,24)
InChIKeySLCXUHRSOUSOQM-UHFFFAOYSA-N
XLogP6.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 56.27
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-[2-tri(propan-2-yl)silyloxyethyl]benzohydrazide
CID 177468032
4-(4-ethoxy-4-oxobutyl)naphthalene-1-carboxylic acid
CID 71469361
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]naphthalene-1-carboxylic acid
CID 69452864
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid
CID 114088665
4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
CID 174545200
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
4-carboxynaphthalen-1-olate
CID 54707408
4-butan-2-ylsulfanylnaphthalene-1-carboxylic acid
CID 114088674
1-(4-methylpentoxy)isoquinoline-4-carboxylic acid
CID 106765776
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
5-(2-oxopropyl)naphthalene-1-carboxylic acid
CID 174847527

Frequently Asked Questions

What is the IUPAC name of 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid (CID 11717699) is 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid is CC(C)[Si](OCCc1ccc(C(=O)O)c2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid?
The InChIKey is SLCXUHRSOUSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-15(2)26(16(3)4,17(5)6)25-14-13-18-11-12-21(22(23)24)20-10-8-7-9-19(18)20/h7-12,15-17H,13-14H2,1-6H3,(H,23,24).
What are the key properties of 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid?
4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid has a molecular weight of 372.58 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 11717699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).