2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid

C14H28O5Si — CID 11403954

IUPAC2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1COCC(=O)O
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(4,5)19-11-7-6-8-18-12(11)9-17-10-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyYZMHSHIQHKGJPD-VXGBXAGGSA-N
MW304.46 g/mol
LogP2.66
Rot. Bonds6

About 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid

2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid (PubChem CID 11403954) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid
PubChem CID11403954
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1COCC(=O)O
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(4,5)19-11-7-6-8-18-12(11)9-17-10-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyYZMHSHIQHKGJPD-VXGBXAGGSA-N
XLogP2.66
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.66
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 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid (CID 11403954) is 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1COCC(=O)O.
What is the InChIKey of 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid?
The InChIKey is YZMHSHIQHKGJPD-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-14(2,3)20(4,5)19-11-7-6-8-18-12(11)9-17-10-13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid?
2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid has a molecular weight of 304.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetic acid is sourced from PubChem (CID 11403954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).