(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde

C14H28O4Si — CID 131715959

IUPAC(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde
SMILESCO[C@H]1C[C@H](C=O)[C@](O)([Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C14H28O4Si/c1-10-14(16,19(6,7)13(2,3)4)11(9-15)8-12(17-5)18-10/h9-12,16H,8H2,1-7H3/t10-,11+,12+,14+/m0/s1
InChIKeyRNCDPQAMRJFIEA-FMCLSXCISA-N
MW288.46 g/mol
LogP2.36
Rot. Bonds3

About (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde

(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde (PubChem CID 131715959) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde
PubChem CID131715959
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde
SMILESCO[C@H]1C[C@H](C=O)[C@](O)([Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C14H28O4Si/c1-10-14(16,19(6,7)13(2,3)4)11(9-15)8-12(17-5)18-10/h9-12,16H,8H2,1-7H3/t10-,11+,12+,14+/m0/s1
InChIKeyRNCDPQAMRJFIEA-FMCLSXCISA-N
XLogP2.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
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,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde?
The IUPAC name of (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde (CID 131715959) is (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde.
What is the SMILES notation for (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde?
The canonical SMILES for (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde is CO[C@H]1C[C@H](C=O)[C@](O)([Si](C)(C)C(C)(C)C)[C@H](C)O1.
What is the InChIKey of (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde?
The InChIKey is RNCDPQAMRJFIEA-FMCLSXCISA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10-14(16,19(6,7)13(2,3)4)11(9-15)8-12(17-5)18-10/h9-12,16H,8H2,1-7H3/t10-,11+,12+,14+/m0/s1.
What are the key properties of (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde?
(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde has a molecular weight of 288.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]-3-hydroxy-6-methoxy-2-methyloxane-4-carbaldehyde is sourced from PubChem (CID 131715959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).