1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate

C12H24O3Si — CID 175203111

IUPAC1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(14-11(13)10-7-8-10)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyURISBRVZGHBVPZ-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.31
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate

1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate (PubChem CID 175203111) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate
PubChem CID175203111
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(14-11(13)10-7-8-10)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyURISBRVZGHBVPZ-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl cyclopropanecarboxylate
CID 550170
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
[(1S)-1-acetyloxyethyl] cyclohexanecarboxylate
CID 70191604
[3-cyano-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl] cyclopropanecarboxylate
CID 174330233
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10970420
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
3,3-difluorobutan-2-yl cyclohexanecarboxylate
CID 67967114
tert-butyl cyclopropanecarboxylate
CID 157212632

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate (CID 175203111) is 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate is CC(OC(=O)C1CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate?
The InChIKey is URISBRVZGHBVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(14-11(13)10-7-8-10)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate?
1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate has a molecular weight of 244.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyethyl cyclopropanecarboxylate is sourced from PubChem (CID 175203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).