2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde

C13H24O2Si — CID 10911665

IUPAC2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@H]1CC=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(12)9-10-14/h6-7,10-12H,8-9H2,1-5H3/t11-,12-/m0/s1
InChIKeyKGWRNKBKKRVPPS-RYUDHWBXSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds4

About 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde

2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde (PubChem CID 10911665) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
PubChem CID10911665
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@H]1CC=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(12)9-10-14/h6-7,10-12H,8-9H2,1-5H3/t11-,12-/m0/s1
InChIKeyKGWRNKBKKRVPPS-RYUDHWBXSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde (CID 10911665) is 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@H]1CC=O.
What is the InChIKey of 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
The InChIKey is KGWRNKBKKRVPPS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-6-7-11(12)9-10-14/h6-7,10-12H,8-9H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde has a molecular weight of 240.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 10911665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).