2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde

C17H34O4Si — CID 11099585

IUPAC2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
SMILESCC1(C)OCC(CC=O)(CCCO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C17H34O4Si/c1-15(2,3)22(6,7)21-12-8-9-17(10-11-18)13-19-16(4,5)20-14-17/h11H,8-10,12-14H2,1-7H3
InChIKeyHTRNWLHBFZYCAF-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.15
Rot. Bonds7

About 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde

2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde (PubChem CID 11099585) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
PubChem CID11099585
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
SMILESCC1(C)OCC(CC=O)(CCCO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C17H34O4Si/c1-15(2,3)22(6,7)21-12-8-9-17(10-11-18)13-19-16(4,5)20-14-17/h11H,8-10,12-14H2,1-7H3
InChIKeyHTRNWLHBFZYCAF-UHFFFAOYSA-N
XLogP4.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
CID 10892462
2-[5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde
CID 101163170

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
The IUPAC name of 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde (CID 11099585) is 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde.
What is the SMILES notation for 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
The canonical SMILES for 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde is CC1(C)OCC(CC=O)(CCCO[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
The InChIKey is HTRNWLHBFZYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-15(2,3)22(6,7)21-12-8-9-17(10-11-18)13-19-16(4,5)20-14-17/h11H,8-10,12-14H2,1-7H3.
What are the key properties of 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde?
2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde has a molecular weight of 330.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetaldehyde is sourced from PubChem (CID 11099585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).