trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde

C11H20O2Si — CID 14115192

IUPACtrans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)C(=O)[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)10(13)9-6-8(9)7-12/h7-9H,6H2,1-5H3/t8-,9-/m1/s1
InChIKeyWGEFSSOZYJRULP-RKDXNWHRSA-N
MW212.36 g/mol
LogP2.44
Rot. Bonds3

About trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde

trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde (PubChem CID 14115192) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde
PubChem CID14115192
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nametrans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)C(=O)[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)10(13)9-6-8(9)7-12/h7-9H,6H2,1-5H3/t8-,9-/m1/s1
InChIKeyWGEFSSOZYJRULP-RKDXNWHRSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde
CID 14115191
cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
CID 130883505
cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
CID 134995405
5-[Tert-butyl(dimethyl)silyl]-5-oxopentanal
CID 87383319
2-Methyl-3-trimethylsilylcyclopropane-1-carbaldehyde
CID 89856973
cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
CID 156686179
cis-(1R,2S)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
CID 156686181
2-[2-Tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
CID 156686217
2,3-Dimethyl-1-trimethylsilylcyclopropane-1-carbaldehyde
CID 12753689
Cyclopropanecarboxaldehyde, 2-[(trimethylsilyl)methyl]-, trans-(9CI)
CID 14214586
2-But-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
CID 130035253
cis-(1S,2R)-2-(trimethylsilylmethyl)cyclopropane-1-carbaldehyde
CID 131027443

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde (CID 14115192) is trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde is CC(C)(C)[Si](C)(C)C(=O)[C@@H]1C[C@@H]1C=O.
What is the InChIKey of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde?
The InChIKey is WGEFSSOZYJRULP-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)10(13)9-6-8(9)7-12/h7-9H,6H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde?
trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde has a molecular weight of 212.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 14115192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).