8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one

C17H32O3Si — CID 58292240

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C(=O)O1
InChIInChI=1S/C17H32O3Si/c1-15(2,3)21(6,7)20-13-8-10-17(11-9-13)12-16(4,5)19-14(17)18/h13H,8-12H2,1-7H3
InChIKeyHCXLUXGYHZWTHY-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.66
Rot. Bonds2

About 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one

8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one (PubChem CID 58292240) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
PubChem CID58292240
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C(=O)O1
InChIInChI=1S/C17H32O3Si/c1-15(2,3)21(6,7)20-13-8-10-17(11-9-13)12-16(4,5)19-14(17)18/h13H,8-12H2,1-7H3
InChIKeyHCXLUXGYHZWTHY-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one (CID 58292240) is 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one is CC1(C)CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C(=O)O1.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
The InChIKey is HCXLUXGYHZWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-15(2,3)21(6,7)20-13-8-10-17(11-9-13)12-16(4,5)19-14(17)18/h13H,8-12H2,1-7H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one has a molecular weight of 312.53 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 58292240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).