(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one

C15H32O4Si — CID 135037790

IUPAC(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CCC(C)=O
InChIInChI=1S/C15H32O4Si/c1-8-13(19-20(6,7)15(3,4)5)14(18)12(17)10-9-11(2)16/h12-14,17-18H,8-10H2,1-7H3/t12-,13+,14+/m0/s1
InChIKeyHBVRNSOUCZBYPI-BFHYXJOUSA-N
MW304.50 g/mol
LogP2.88
Rot. Bonds8

About (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one

(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one (PubChem CID 135037790) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one.

Molecular Properties

Compound Name(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one
PubChem CID135037790
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CCC(C)=O
InChIInChI=1S/C15H32O4Si/c1-8-13(19-20(6,7)15(3,4)5)14(18)12(17)10-9-11(2)16/h12-14,17-18H,8-10H2,1-7H3/t12-,13+,14+/m0/s1
InChIKeyHBVRNSOUCZBYPI-BFHYXJOUSA-N
XLogP2.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-nitroheptan-2-one
CID 11833115
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(2S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methyloctan-3-one
CID 102064835
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
(3S,4S,5S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-3,5,7,9-tetramethyl-4-triethylsilyloxydodecan-6-one
CID 11620544
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one?
The IUPAC name of (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one (CID 135037790) is (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one.
What is the SMILES notation for (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one?
The canonical SMILES for (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CCC(C)=O.
What is the InChIKey of (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one?
The InChIKey is HBVRNSOUCZBYPI-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-8-13(19-20(6,7)15(3,4)5)14(18)12(17)10-9-11(2)16/h12-14,17-18H,8-10H2,1-7H3/t12-,13+,14+/m0/s1.
What are the key properties of (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one?
(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one has a molecular weight of 304.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one is sourced from PubChem (CID 135037790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).