methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate

C14H28O4Si — CID 10708520

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
SMILESCCCC(CC(=O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-9-11(10-12(15)13(16)17-5)18-19(6,7)14(2,3)4/h11H,8-10H2,1-7H3
InChIKeyMUELNTIEALZGCV-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds7

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate (PubChem CID 10708520) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
PubChem CID10708520
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
SMILESCCCC(CC(=O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-9-11(10-12(15)13(16)17-5)18-19(6,7)14(2,3)4/h11H,8-10H2,1-7H3
InChIKeyMUELNTIEALZGCV-UHFFFAOYSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate
CID 102095887
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11751320
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate (CID 10708520) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate is CCCC(CC(=O)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate?
The InChIKey is MUELNTIEALZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-9-11(10-12(15)13(16)17-5)18-19(6,7)14(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate is sourced from PubChem (CID 10708520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).