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

C12H24O2Si — CID 58220967

IUPACtrans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@H]1C=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m0/s1
InChIKeyHVMCMDMMBWWWCI-QWRGUYRKSA-N
MW228.41 g/mol
LogP3.38
Rot. Bonds3

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

trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde (PubChem CID 58220967) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
PubChem CID58220967
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@H]1C=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m0/s1
InChIKeyHVMCMDMMBWWWCI-QWRGUYRKSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.38
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

2-{1-[(Tert-butyldimethylsilyl)oxy]cyclopentyl}acetaldehyde
CID 125449504
(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 11821284
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 72722822
1-(2-Trimethylsilyloxycyclopentyl)ethanone
CID 73197453
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal
CID 132501470
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanal
CID 134895909

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde (CID 58220967) is trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@H]1C=O.
What is the InChIKey of trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The InChIKey is HVMCMDMMBWWWCI-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde has a molecular weight of 228.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 58220967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).