(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid

C16H32O3Si — CID 140744030

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C16H32O3Si/c1-12(19-20(5,6)16(2,3)4)14(15(17)18)13-10-8-7-9-11-13/h12-14H,7-11H2,1-6H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyGZUZWUGNEZNVNH-TZMCWYRMSA-N
MW300.51 g/mol
LogP4.68
Rot. Bonds5

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid (PubChem CID 140744030) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid
PubChem CID140744030
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C16H32O3Si/c1-12(19-20(5,6)16(2,3)4)14(15(17)18)13-10-8-7-9-11-13/h12-14H,7-11H2,1-6H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyGZUZWUGNEZNVNH-TZMCWYRMSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.68
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 (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid (CID 140744030) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid?
The InChIKey is GZUZWUGNEZNVNH-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(19-20(5,6)16(2,3)4)14(15(17)18)13-10-8-7-9-11-13/h12-14H,7-11H2,1-6H3,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid has a molecular weight of 300.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid is sourced from PubChem (CID 140744030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).