2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid

C15H28O4Si — CID 46894837

IUPAC2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)O1
InChIInChI=1S/C15H28O4Si/c1-7-11-8-9-12(13(18-11)10-14(16)17)19-20(5,6)15(2,3)4/h7,11-13H,1,8-10H2,2-6H3,(H,16,17)/t11-,12-,13+/m0/s1
InChIKeySHWGNOHVOIBZEN-RWMBFGLXSA-N
MW300.47 g/mol
LogP3.59
Rot. Bonds5

About 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid

2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid (PubChem CID 46894837) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid
PubChem CID46894837
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)O1
InChIInChI=1S/C15H28O4Si/c1-7-11-8-9-12(13(18-11)10-14(16)17)19-20(5,6)15(2,3)4/h7,11-13H,1,8-10H2,2-6H3,(H,16,17)/t11-,12-,13+/m0/s1
InChIKeySHWGNOHVOIBZEN-RWMBFGLXSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid (CID 46894837) is 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid is C=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)O1.
What is the InChIKey of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid?
The InChIKey is SHWGNOHVOIBZEN-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-11-8-9-12(13(18-11)10-14(16)17)19-20(5,6)15(2,3)4/h7,11-13H,1,8-10H2,2-6H3,(H,16,17)/t11-,12-,13+/m0/s1.
What are the key properties of 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid?
2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid has a molecular weight of 300.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]acetic acid is sourced from PubChem (CID 46894837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).