(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one

C17H36O2Si — CID 132501472

IUPAC(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
SMILESCC(=O)CC[C@H](C)[C@H](CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)12-16(14(3)10-11-15(4)18)19-20(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t14-,16-/m0/s1
InChIKeyLMPGRHZXTBVPDG-HOCLYGCPSA-N
MW300.56 g/mol
LogP5.43
Rot. Bonds8

About (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one

(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one (PubChem CID 132501472) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one.

Molecular Properties

Compound Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
PubChem CID132501472
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
SMILESCC(=O)CC[C@H](C)[C@H](CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)12-16(14(3)10-11-15(4)18)19-20(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t14-,16-/m0/s1
InChIKeyLMPGRHZXTBVPDG-HOCLYGCPSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.43
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 (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one?
The IUPAC name of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one (CID 132501472) is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one.
What is the SMILES notation for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one?
The canonical SMILES for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one is CC(=O)CC[C@H](C)[C@H](CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one?
The InChIKey is LMPGRHZXTBVPDG-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)12-16(14(3)10-11-15(4)18)19-20(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t14-,16-/m0/s1.
What are the key properties of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one?
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one has a molecular weight of 300.56 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one is sourced from PubChem (CID 132501472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).