(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one

C15H32O3Si — CID 101412599

IUPAC(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
SMILESCC(C)C(=O)C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)13(16)9-14(17)12(3)10-18-19(7,8)15(4,5)6/h11-12,14,17H,9-10H2,1-8H3/t12-,14-/m0/s1
InChIKeyUBGNCJAZMJFGCS-JSGCOSHPSA-N
MW288.50 g/mol
LogP3.62
Rot. Bonds7

About (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one

(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one (PubChem CID 101412599) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
PubChem CID101412599
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
SMILESCC(C)C(=O)C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)13(16)9-14(17)12(3)10-18-19(7,8)15(4,5)6/h11-12,14,17H,9-10H2,1-8H3/t12-,14-/m0/s1
InChIKeyUBGNCJAZMJFGCS-JSGCOSHPSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 23697835
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one?
The IUPAC name of (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one (CID 101412599) is (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one.
What is the SMILES notation for (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one?
The canonical SMILES for (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one is CC(C)C(=O)C[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one?
The InChIKey is UBGNCJAZMJFGCS-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-11(2)13(16)9-14(17)12(3)10-18-19(7,8)15(4,5)6/h11-12,14,17H,9-10H2,1-8H3/t12-,14-/m0/s1.
What are the key properties of (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one?
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one has a molecular weight of 288.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one is sourced from PubChem (CID 101412599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).