2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde

C17H32O4Si — CID 21246038

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCOC2(C1)OCCCC2CC=O
InChIInChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-15-9-12-20-17(13-15)14(8-10-18)7-6-11-19-17/h10,14-15H,6-9,11-13H2,1-5H3
InChIKeyGEDMWVQVHXGUIZ-UHFFFAOYSA-N
MW328.52 g/mol
LogP3.90
Rot. Bonds4

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde

2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde (PubChem CID 21246038) has the molecular formula C17H32O4Si and a molecular weight of 328.52 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
PubChem CID21246038
Molecular FormulaC17H32O4Si
Molecular Weight328.52 g/mol
Exact Mass328.21
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CCOC2(C1)OCCCC2CC=O
InChIInChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-15-9-12-20-17(13-15)14(8-10-18)7-6-11-19-17/h10,14-15H,6-9,11-13H2,1-5H3
InChIKeyGEDMWVQVHXGUIZ-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.90
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 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde (CID 21246038) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC1CCOC2(C1)OCCCC2CC=O.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde?
The InChIKey is GEDMWVQVHXGUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-15-9-12-20-17(13-15)14(8-10-18)7-6-11-19-17/h10,14-15H,6-9,11-13H2,1-5H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde?
2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde has a molecular weight of 328.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde is sourced from PubChem (CID 21246038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).