cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde

C12H24O2Si — CID 154716210

IUPACcis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-7-6-10-8-11(10)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyNOOWXHOKVIQAFQ-GHMZBOCLSA-N
MW228.41 g/mol
LogP3.23
Rot. Bonds5

About cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde

cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde (PubChem CID 154716210) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
PubChem CID154716210
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namecis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-7-6-10-8-11(10)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyNOOWXHOKVIQAFQ-GHMZBOCLSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.23
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

5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 13596694
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 11436161
6-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal
CID 87905809
(2S)-6-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhexanal
CID 15838480
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 10037486
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal
CID 10966326
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(2R,4R)-5-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 13596695
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 134872580

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde (CID 154716210) is cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
The InChIKey is NOOWXHOKVIQAFQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-7-6-10-8-11(10)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde has a molecular weight of 228.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 154716210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).