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

C14H28O4Si — CID 11833079

IUPAC(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OC[C@@H]1C
InChIInChI=1S/C14H28O4Si/c1-10-9-17-11(8-15)13(12(10)16-5)18-19(6,7)14(2,3)4/h8,10-13H,9H2,1-7H3/t10-,11-,12-,13-/m0/s1
InChIKeyDCKNHIMGDSBHLC-CYDGBPFRSA-N
MW288.46 g/mol
LogP2.63
Rot. Bonds4

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

(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde (PubChem CID 11833079) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
PubChem CID11833079
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OC[C@@H]1C
InChIInChI=1S/C14H28O4Si/c1-10-9-17-11(8-15)13(12(10)16-5)18-19(6,7)14(2,3)4/h8,10-13H,9H2,1-7H3/t10-,11-,12-,13-/m0/s1
InChIKeyDCKNHIMGDSBHLC-CYDGBPFRSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.63
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'}

Analyze (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
The IUPAC name of (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde (CID 11833079) is (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
The canonical SMILES for (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde is CO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OC[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
The InChIKey is DCKNHIMGDSBHLC-CYDGBPFRSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10-9-17-11(8-15)13(12(10)16-5)18-19(6,7)14(2,3)4/h8,10-13H,9H2,1-7H3/t10-,11-,12-,13-/m0/s1.
What are the key properties of (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde has a molecular weight of 288.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde is sourced from PubChem (CID 11833079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).