(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one

C15H32O2Si — CID 11821760

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
SMILESCCC(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-10-13(16)12(4)14(11(2)3)17-18(8,9)15(5,6)7/h11-12,14H,10H2,1-9H3/t12-,14-/m1/s1
InChIKeyBWZFFBMJYFIRBE-TZMCWYRMSA-N
MW272.50 g/mol
LogP4.65
Rot. Bonds6

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one (PubChem CID 11821760) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
PubChem CID11821760
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
SMILESCCC(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-10-13(16)12(4)14(11(2)3)17-18(8,9)15(5,6)7/h11-12,14H,10H2,1-9H3/t12-,14-/m1/s1
InChIKeyBWZFFBMJYFIRBE-TZMCWYRMSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanal
CID 11437650
(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 11557578
(4R,5S,6S)-4,6-dimethyl-5-trimethylsilyloxyoctan-3-one
CID 11715729
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(2R,4R,5S)-2-[tert-butyl(dimethyl)silyl]-5-hydroxy-4,6-dimethylheptan-3-one
CID 14662770
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
CID 134830919
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-dione
CID 134838174
CID 134890037
CID 134890037
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one
CID 135048113

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one (CID 11821760) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one is CCC(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one?
The InChIKey is BWZFFBMJYFIRBE-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-10-13(16)12(4)14(11(2)3)17-18(8,9)15(5,6)7/h11-12,14H,10H2,1-9H3/t12-,14-/m1/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one has a molecular weight of 272.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one is sourced from PubChem (CID 11821760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).