3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal

C17H32O4Si — CID 101465997

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal
SMILESCC(C)(C)[Si](C)(C)OC(CC=O)C1COC2(CCCCC2)O1
InChIInChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-14(9-12-18)15-13-19-17(20-15)10-7-6-8-11-17/h12,14-15H,6-11,13H2,1-5H3
InChIKeyWZDBIDKWYJDEPS-UHFFFAOYSA-N
MW328.52 g/mol
LogP4.04
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal

3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal (PubChem CID 101465997) has the molecular formula C17H32O4Si and a molecular weight of 328.52 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal
PubChem CID101465997
Molecular FormulaC17H32O4Si
Molecular Weight328.52 g/mol
Exact Mass328.21
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal
SMILESCC(C)(C)[Si](C)(C)OC(CC=O)C1COC2(CCCCC2)O1
InChIInChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-14(9-12-18)15-13-19-17(20-15)10-7-6-8-11-17/h12,14-15H,6-11,13H2,1-5H3
InChIKeyWZDBIDKWYJDEPS-UHFFFAOYSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 54.04
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 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal (CID 101465997) is 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal is CC(C)(C)[Si](C)(C)OC(CC=O)C1COC2(CCCCC2)O1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal?
The InChIKey is WZDBIDKWYJDEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-14(9-12-18)15-13-19-17(20-15)10-7-6-8-11-17/h12,14-15H,6-11,13H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal?
3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal has a molecular weight of 328.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-3-(1,4-dioxaspiro[4.5]decan-3-yl)propanal is sourced from PubChem (CID 101465997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).