(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde

C14H26O4Si — CID 11380639

IUPAC(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@@H]1C=O
InChIInChI=1S/C14H26O4Si/c1-9-11(8-15)17-13(16)10(2)12(9)18-19(6,7)14(3,4)5/h8-12H,1-7H3/t9-,10+,11+,12-/m0/s1
InChIKeySILMLVIIZBSVKU-QCNOEVLYSA-N
MW286.44 g/mol
LogP2.77
Rot. Bonds3

About (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde

(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde (PubChem CID 11380639) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde
PubChem CID11380639
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@@H]1C=O
InChIInChI=1S/C14H26O4Si/c1-9-11(8-15)17-13(16)10(2)12(9)18-19(6,7)14(3,4)5/h8-12H,1-7H3/t9-,10+,11+,12-/m0/s1
InChIKeySILMLVIIZBSVKU-QCNOEVLYSA-N
XLogP2.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde?
The IUPAC name of (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde (CID 11380639) is (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde.
What is the SMILES notation for (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde?
The canonical SMILES for (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@@H]1C=O.
What is the InChIKey of (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde?
The InChIKey is SILMLVIIZBSVKU-QCNOEVLYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9-11(8-15)17-13(16)10(2)12(9)18-19(6,7)14(3,4)5/h8-12H,1-7H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde?
(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde has a molecular weight of 286.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde is sourced from PubChem (CID 11380639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).