(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C14H28O4Si — CID 59466677

IUPAC(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)16-9-8-11-12(10-15)18-14(4,5)17-11/h10-12H,8-9H2,1-7H3/t11-,12+/m0/s1
InChIKeyPLWTZAVZIRELCP-NWDGAFQWSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds5

About (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 59466677) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID59466677
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)16-9-8-11-12(10-15)18-14(4,5)17-11/h10-12H,8-9H2,1-7H3/t11-,12+/m0/s1
InChIKeyPLWTZAVZIRELCP-NWDGAFQWSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
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 (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 59466677) is (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1.
What is the InChIKey of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is PLWTZAVZIRELCP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)16-9-8-11-12(10-15)18-14(4,5)17-11/h10-12H,8-9H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 288.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 59466677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).