(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid

C14H28O5Si — CID 67885017

IUPAC(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
SMILESCOC1C(C)CO[C@@H](C(=O)O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-9-8-18-12(13(15)16)11(10(9)17-5)19-20(6,7)14(2,3)4/h9-12H,8H2,1-7H3,(H,15,16)/t9?,10?,11?,12-/m1/s1
InChIKeyBFEIFRJIMPARCS-XHUCQOSOSA-N
MW304.46 g/mol
LogP2.51
Rot. Bonds4

About (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid (PubChem CID 67885017) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
PubChem CID67885017
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
SMILESCOC1C(C)CO[C@@H](C(=O)O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-9-8-18-12(13(15)16)11(10(9)17-5)19-20(6,7)14(2,3)4/h9-12H,8H2,1-7H3,(H,15,16)/t9?,10?,11?,12-/m1/s1
InChIKeyBFEIFRJIMPARCS-XHUCQOSOSA-N
XLogP2.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid?
The IUPAC name of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid (CID 67885017) is (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid.
What is the SMILES notation for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid?
The canonical SMILES for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid is COC1C(C)CO[C@@H](C(=O)O)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid?
The InChIKey is BFEIFRJIMPARCS-XHUCQOSOSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-9-8-18-12(13(15)16)11(10(9)17-5)19-20(6,7)14(2,3)4/h9-12H,8H2,1-7H3,(H,15,16)/t9?,10?,11?,12-/m1/s1.
What are the key properties of (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid?
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid has a molecular weight of 304.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid is sourced from PubChem (CID 67885017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).