2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid

C19H32O3Si — CID 90905151

IUPAC2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
SMILESCC(C)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)O
InChIInChI=1S/C19H32O3Si/c1-12(2)18-11-16(9-10-17(18)19(20)21)22-23(13(3)4,14(5)6)15(7)8/h9-15H,1-8H3,(H,20,21)
InChIKeyZEVIPBCINYSKHG-UHFFFAOYSA-N
MW336.55 g/mol
LogP6.06
Rot. Bonds7

About 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid

2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid (PubChem CID 90905151) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid.

Molecular Properties

Compound Name2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
PubChem CID90905151
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
SMILESCC(C)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)O
InChIInChI=1S/C19H32O3Si/c1-12(2)18-11-16(9-10-17(18)19(20)21)22-23(13(3)4,14(5)6)15(7)8/h9-15H,1-8H3,(H,20,21)
InChIKeyZEVIPBCINYSKHG-UHFFFAOYSA-N
XLogP6.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid?
The IUPAC name of 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid (CID 90905151) is 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid.
What is the SMILES notation for 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid?
The canonical SMILES for 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid is CC(C)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)O.
What is the InChIKey of 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid?
The InChIKey is ZEVIPBCINYSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-12(2)18-11-16(9-10-17(18)19(20)21)22-23(13(3)4,14(5)6)15(7)8/h9-15H,1-8H3,(H,20,21).
What are the key properties of 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid?
2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid has a molecular weight of 336.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid is sourced from PubChem (CID 90905151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).