3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one

C19H42O3Si2 — CID 88585104

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one
SMILESCC(=O)C(CCCC(C)(C)[Si](C)(C)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-16(20)17(12-11-14-19(5,6)23(7,8)21)13-15-22-24(9,10)18(2,3)4/h17,21H,11-15H2,1-10H3
InChIKeyGFPPXNKFAADSBM-UHFFFAOYSA-N
MW374.71 g/mol
LogP5.75
Rot. Bonds10

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one (PubChem CID 88585104) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one
PubChem CID88585104
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one
SMILESCC(=O)C(CCCC(C)(C)[Si](C)(C)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-16(20)17(12-11-14-19(5,6)23(7,8)21)13-15-22-24(9,10)18(2,3)4/h17,21H,11-15H2,1-10H3
InChIKeyGFPPXNKFAADSBM-UHFFFAOYSA-N
XLogP5.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.75
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

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[hydroxy(dimethyl)silyl]-6-methylheptanenitrile
CID 89366790
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,4-trifluorobutanoic acid
CID 140678729
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid
CID 89136384
methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate
CID 87528215
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one (CID 88585104) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one is CC(=O)C(CCCC(C)(C)[Si](C)(C)O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one?
The InChIKey is GFPPXNKFAADSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-16(20)17(12-11-14-19(5,6)23(7,8)21)13-15-22-24(9,10)18(2,3)4/h17,21H,11-15H2,1-10H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one has a molecular weight of 374.71 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one is sourced from PubChem (CID 88585104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).