(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one

C15H32O2Si — CID 11043924

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
SMILESCC(=O)CC[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-12(2)14(10-9-13(3)16)11-17-18(7,8)15(4,5)6/h12,14H,9-11H2,1-8H3/t14-/m1/s1
InChIKeySQXKNAQWYLSGOX-CQSZACIVSA-N
MW272.50 g/mol
LogP4.65
Rot. Bonds7

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one (PubChem CID 11043924) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
PubChem CID11043924
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
SMILESCC(=O)CC[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-12(2)14(10-9-13(3)16)11-17-18(7,8)15(4,5)6/h12,14H,9-11H2,1-8H3/t14-/m1/s1
InChIKeySQXKNAQWYLSGOX-CQSZACIVSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
CID 177309340
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-nitroheptan-2-one
CID 11833115
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one (CID 11043924) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one is CC(=O)CC[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one?
The InChIKey is SQXKNAQWYLSGOX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-12(2)14(10-9-13(3)16)11-17-18(7,8)15(4,5)6/h12,14H,9-11H2,1-8H3/t14-/m1/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one has a molecular weight of 272.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one is sourced from PubChem (CID 11043924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).