methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate

C15H28O4Si — CID 10935487

IUPACmethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(C=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(5,6)19-9-7-8-15(11-16)10-12(15)13(17)18-4/h11-12H,7-10H2,1-6H3
InChIKeyUJTBIAZPRMEKHK-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.17
Rot. Bonds7

About methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate (PubChem CID 10935487) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
PubChem CID10935487
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(C=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(5,6)19-9-7-8-15(11-16)10-12(15)13(17)18-4/h11-12H,7-10H2,1-6H3
InChIKeyUJTBIAZPRMEKHK-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate
CID 100933112
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-propan-2-ylcyclobutane-1-carboxylate
CID 140523837
(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid
CID 174165287
methyl (1S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylbicyclo[3.2.0]heptane-6-carboxylate
CID 134918764
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 156726522
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
cis-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methylcyclohexan-1-ol
CID 11033471
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate (CID 10935487) is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate is COC(=O)C1CC1(C=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate?
The InChIKey is UJTBIAZPRMEKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(5,6)19-9-7-8-15(11-16)10-12(15)13(17)18-4/h11-12H,7-10H2,1-6H3.
What are the key properties of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate?
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate is sourced from PubChem (CID 10935487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).