(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol

C13H28O4Si — CID 11140371

IUPAC(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
SMILESCO[C@@H]1C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C13H28O4Si/c1-9-12(10(14)8-11(15-5)16-9)17-18(6,7)13(2,3)4/h9-12,14H,8H2,1-7H3/t9-,10-,11-,12+/m0/s1
InChIKeyKJTVUJXWZMKOAE-FIQHERPVSA-N
MW276.45 g/mol
LogP2.52
Rot. Bonds3

About (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol

(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol (PubChem CID 11140371) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
PubChem CID11140371
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
SMILESCO[C@@H]1C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C13H28O4Si/c1-9-12(10(14)8-11(15-5)16-9)17-18(6,7)13(2,3)4/h9-12,14H,8H2,1-7H3/t9-,10-,11-,12+/m0/s1
InChIKeyKJTVUJXWZMKOAE-FIQHERPVSA-N
XLogP2.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.52
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 (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
The IUPAC name of (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol (CID 11140371) is (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol.
What is the SMILES notation for (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
The canonical SMILES for (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol is CO[C@@H]1C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1.
What is the InChIKey of (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
The InChIKey is KJTVUJXWZMKOAE-FIQHERPVSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-9-12(10(14)8-11(15-5)16-9)17-18(6,7)13(2,3)4/h9-12,14H,8H2,1-7H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol has a molecular weight of 276.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol is sourced from PubChem (CID 11140371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).