4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid

C12H20O4Si — CID 154430012

IUPAC4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid
SMILESCC(C)(C)[SiH2]OC(C)(C)c1coc(C(=O)O)c1
InChIInChI=1S/C12H20O4Si/c1-11(2,3)17-16-12(4,5)8-6-9(10(13)14)15-7-8/h6-7H,17H2,1-5H3,(H,13,14)
InChIKeyHZBOSQUGFNPFDQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid

4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid (PubChem CID 154430012) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid
PubChem CID154430012
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid
SMILESCC(C)(C)[SiH2]OC(C)(C)c1coc(C(=O)O)c1
InChIInChI=1S/C12H20O4Si/c1-11(2,3)17-16-12(4,5)8-6-9(10(13)14)15-7-8/h6-7H,17H2,1-5H3,(H,13,14)
InChIKeyHZBOSQUGFNPFDQ-UHFFFAOYSA-N
XLogP2.53
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[3-(2-tert-butylsilyloxypropan-2-yl)phenyl]propan-2-yloxy]silane
CID 150405703
4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid
CID 66787576
5-acetylfuran-3-carboxylic acid
CID 10654434
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide
CID 110834036
4-[(carbamoylamino)methyl]furan-2-carboxylic acid
CID 84659397
1-[4-[tert-butylsilyloxy(diphenyl)methyl]phenyl]ethanone
CID 154436310
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
4-(4-aminophenyl)furan-2-carboxylic acid
CID 117223140
[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone
CID 175804454
5-(3-methylbutyl)-4-oxopyran-2-carboxylic acid
CID 59364499
4-[(2-methylphenyl)methyl]furan-2-carboxylic acid
CID 84723847

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid?
The IUPAC name of 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid (CID 154430012) is 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid?
The canonical SMILES for 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid is CC(C)(C)[SiH2]OC(C)(C)c1coc(C(=O)O)c1.
What is the InChIKey of 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid?
The InChIKey is HZBOSQUGFNPFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-11(2,3)17-16-12(4,5)8-6-9(10(13)14)15-7-8/h6-7H,17H2,1-5H3,(H,13,14).
What are the key properties of 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid?
4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid has a molecular weight of 256.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid is sourced from PubChem (CID 154430012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).