(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one

C17H36O2Si — CID 10913630

IUPAC(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one
SMILESCCC(=O)C(C)C[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-10-15(18)13(3)12-14(4)16(11-2)19-20(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t13?,14-,16-/m0/s1
InChIKeyULPCHHNCKLURQA-DSUHRAPHSA-N
MW300.56 g/mol
LogP5.43
Rot. Bonds8

About (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one

(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one (PubChem CID 10913630) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one.

Molecular Properties

Compound Name(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one
PubChem CID10913630
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one
SMILESCCC(=O)C(C)C[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-10-15(18)13(3)12-14(4)16(11-2)19-20(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t13?,14-,16-/m0/s1
InChIKeyULPCHHNCKLURQA-DSUHRAPHSA-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 (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one?
The IUPAC name of (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one (CID 10913630) is (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one.
What is the SMILES notation for (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one?
The canonical SMILES for (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one is CCC(=O)C(C)C[C@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one?
The InChIKey is ULPCHHNCKLURQA-DSUHRAPHSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-10-15(18)13(3)12-14(4)16(11-2)19-20(8,9)17(5,6)7/h13-14,16H,10-12H2,1-9H3/t13?,14-,16-/m0/s1.
What are the key properties of (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one?
(6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-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 (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonan-3-one is sourced from PubChem (CID 10913630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).