trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate

C15H28O3Si — CID 10989748

IUPACtrans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(C)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@]1(C)C(=O)OC
InChIInChI=1S/C15H28O3Si/c1-11(2)15(10-14(15,6)12(16)17-7)18-19(8,9)13(3,4)5/h1,10H2,2-9H3/t14-,15-/m1/s1
InChIKeyNJHSHXFOMRSDOZ-HUUCEWRRSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds4

About trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate

trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate (PubChem CID 10989748) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
PubChem CID10989748
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametrans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(C)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@]1(C)C(=O)OC
InChIInChI=1S/C15H28O3Si/c1-11(2)15(10-14(15,6)12(16)17-7)18-19(8,9)13(3,4)5/h1,10H2,2-9H3/t14-,15-/m1/s1
InChIKeyNJHSHXFOMRSDOZ-HUUCEWRRSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 2-acetyl-1,2-dimethylcyclopropane-1-carboxylate
CID 45086506
1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate
CID 155747484
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate
CID 11092244
methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate
CID 10994677
methyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 580337
1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
CID 123838797
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
CID 91868283
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate (CID 10989748) is trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate is C=C(C)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@]1(C)C(=O)OC.
What is the InChIKey of trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The InChIKey is NJHSHXFOMRSDOZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-11(2)15(10-14(15,6)12(16)17-7)18-19(8,9)13(3,4)5/h1,10H2,2-9H3/t14-,15-/m1/s1.
What are the key properties of trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 10989748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).