(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one

C15H34O3Si2 — CID 11151311

IUPAC(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one
SMILESCCC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-10-13(16)15(2,3)14(18-20(7,8)9)11-12-17-19(4,5)6/h14H,10-12H2,1-9H3/t14-/m0/s1
InChIKeyBTMDLSMAYUWUSL-AWEZNQCLSA-N
MW318.61 g/mol
LogP4.45
Rot. Bonds9

About (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one

(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one (PubChem CID 11151311) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one.

Molecular Properties

Compound Name(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one
PubChem CID11151311
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Name(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one
SMILESCCC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-10-13(16)15(2,3)14(18-20(7,8)9)11-12-17-19(4,5)6/h14H,10-12H2,1-9H3/t14-/m0/s1
InChIKeyBTMDLSMAYUWUSL-AWEZNQCLSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one
CID 22339170
ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
CID 101484310
trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate
CID 91753758
ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
CID 11601670
7-trimethylsilyloxyheptan-3-one
CID 18622779
trimethyl(1-trimethylsilyloxyoctan-3-yloxy)silane
CID 14213504
2,2-dimethyl-6-trimethylsilyloxyheptane-3,5-dione
CID 23594314
trimethyl-[1,2,5-tris(trimethylsilyloxy)pentan-3-yloxy]silane
CID 552765
(5S)-7-hydroxy-4,4-dimethyl-5-(oxan-2-yloxy)heptan-3-one
CID 57239627
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
(4S,5R)-4,6-dimethyl-5-trimethylsilyloxyheptan-3-one
CID 11701394
triethyl-[3-(2-triethylsilyloxyethyl)-5-trimethylsilyloxypentoxy]silane
CID 153422025

Frequently Asked Questions

What is the IUPAC name of (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one?
The IUPAC name of (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one (CID 11151311) is (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one.
What is the SMILES notation for (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one?
The canonical SMILES for (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one is CCC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one?
The InChIKey is BTMDLSMAYUWUSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-10-13(16)15(2,3)14(18-20(7,8)9)11-12-17-19(4,5)6/h14H,10-12H2,1-9H3/t14-/m0/s1.
What are the key properties of (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one?
(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one has a molecular weight of 318.61 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one is sourced from PubChem (CID 11151311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).