8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one

C15H32O2Si — CID 72824520

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
SMILESCC(=O)CC(C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3
InChIKeyNNFGXKUKPSKOAP-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds8

About 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one

8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one (PubChem CID 72824520) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
PubChem CID72824520
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
SMILESCC(=O)CC(C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3
InChIKeyNNFGXKUKPSKOAP-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-methyloctan-2-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one (CID 72824520) is 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one is CC(=O)CC(C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
The InChIKey is NNFGXKUKPSKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h13H,8-12H2,1-7H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one?
8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one has a molecular weight of 272.50 g/mol, XLogP of 4.79, 8 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-4-methyloctan-2-one is sourced from PubChem (CID 72824520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).