5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one

C12H24O3Si — CID 86156584

IUPAC5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCOC(=O)CC1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-10-6-7-11(13)14-9-8-10/h10H,6-9H2,1-5H3
InChIKeyZMQQNZDXDXDQID-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.10
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one

5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one (PubChem CID 86156584) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one
PubChem CID86156584
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCOC(=O)CC1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-10-6-7-11(13)14-9-8-10/h10H,6-9H2,1-5H3
InChIKeyZMQQNZDXDXDQID-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.10
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

Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
5-Triethylsilyloxyoxepan-2-one
CID 85775109
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
Ethyl 3-((tert-butyldimethylsilyl)oxy)hexanoate
CID 14264095
[Tert-butyl(dimethyl)silyl] 4-acetyloxypentanoate
CID 152416610
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11780260
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 14264096
Methyl 3-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 24764284
(5S)-5-(2-{[Tert-butyl(dimethyl)silyl]oxy}ethyl)dihydro-2(3H)-furanone
CID 99772896
ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate
CID 101223496

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one (CID 86156584) is 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one is CC(C)(C)[Si](C)(C)OC1CCOC(=O)CC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one?
The InChIKey is ZMQQNZDXDXDQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-10-6-7-11(13)14-9-8-10/h10H,6-9H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one?
5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one has a molecular weight of 244.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxyoxepan-2-one is sourced from PubChem (CID 86156584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).