8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one

C17H32O2Si — CID 161256260

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32O2Si/c1-13-11-15(18)17(12-13)9-7-14(8-10-17)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyVBYMNAPBHKGXAI-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.94
Rot. Bonds2

About 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one

8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one (PubChem CID 161256260) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
PubChem CID161256260
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32O2Si/c1-13-11-15(18)17(12-13)9-7-14(8-10-17)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyVBYMNAPBHKGXAI-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-methylspiro[4.5]decan-4-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one (CID 161256260) is 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one is CC1CC(=O)C2(CCC(O[Si](C)(C)C(C)(C)C)CC2)C1.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
The InChIKey is VBYMNAPBHKGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13-11-15(18)17(12-13)9-7-14(8-10-17)19-20(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one?
8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one has a molecular weight of 296.53 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-2-methylspiro[4.5]decan-4-one is sourced from PubChem (CID 161256260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).