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

C13H26O2Si — CID 141420155

IUPACtrans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
SMILESCC(C)(C)C[Si](C)(C)O[C@H]1CCC[C@H]1C=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)10-16(4,5)15-12-8-6-7-11(12)9-14/h9,11-12H,6-8,10H2,1-5H3/t11-,12-/m0/s1
InChIKeyFHCCLHVDUVNGLS-RYUDHWBXSA-N
MW242.43 g/mol
LogP3.62
Rot. Bonds4

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

trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde (PubChem CID 141420155) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
PubChem CID141420155
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametrans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
SMILESCC(C)(C)C[Si](C)(C)O[C@H]1CCC[C@H]1C=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)10-16(4,5)15-12-8-6-7-11(12)9-14/h9,11-12H,6-8,10H2,1-5H3/t11-,12-/m0/s1
InChIKeyFHCCLHVDUVNGLS-RYUDHWBXSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.62
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

(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
(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
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
CID 71516996
(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
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 13970161
1-[(1R,2S)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524462
1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde (CID 141420155) is trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde is CC(C)(C)C[Si](C)(C)O[C@H]1CCC[C@H]1C=O.
What is the InChIKey of trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
The InChIKey is FHCCLHVDUVNGLS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)10-16(4,5)15-12-8-6-7-11(12)9-14/h9,11-12H,6-8,10H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde?
trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde has a molecular weight of 242.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[2,2-dimethylpropyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 141420155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).