(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde

C11H22O3Si — CID 168819907

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCO[C@@H]1C=O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-6-7-13-10(9)8-12/h8-10H,6-7H2,1-5H3/t9?,10-/m1/s1
InChIKeyVLUZZLDFWFCCCD-QVDQXJPCSA-N
MW230.38 g/mol
LogP2.36
Rot. Bonds3

About (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde

(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde (PubChem CID 168819907) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
PubChem CID168819907
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCO[C@@H]1C=O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-6-7-13-10(9)8-12/h8-10H,6-7H2,1-5H3/t9?,10-/m1/s1
InChIKeyVLUZZLDFWFCCCD-QVDQXJPCSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde (CID 168819907) is (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CCO[C@@H]1C=O.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde?
The InChIKey is VLUZZLDFWFCCCD-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-6-7-13-10(9)8-12/h8-10H,6-7H2,1-5H3/t9?,10-/m1/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde?
(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde has a molecular weight of 230.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde is sourced from PubChem (CID 168819907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).