2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid

C12H24O3Si — CID 175398505

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(5,6)15-9-7-8-12(9,4)10(13)14/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyBYMCHSXUOADKBX-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.26
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid

2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid (PubChem CID 175398505) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid
PubChem CID175398505
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(5,6)15-9-7-8-12(9,4)10(13)14/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyBYMCHSXUOADKBX-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.26
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-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid (CID 175398505) is 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid is CC1(C(=O)O)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid?
The InChIKey is BYMCHSXUOADKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)16(5,6)15-9-7-8-12(9,4)10(13)14/h9H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid?
2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid has a molecular weight of 244.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 175398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).