2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde

C13H24O2Si — CID 11149165

IUPAC2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](CC=O)C1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-7-6-11(10-12)8-9-14/h6-7,9,11-12H,8,10H2,1-5H3/t11-,12-/m1/s1
InChIKeyLGQXTPIEHGQFGX-VXGBXAGGSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds4

About 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde

2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde (PubChem CID 11149165) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
PubChem CID11149165
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](CC=O)C1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-7-6-11(10-12)8-9-14/h6-7,9,11-12H,8,10H2,1-5H3/t11-,12-/m1/s1
InChIKeyLGQXTPIEHGQFGX-VXGBXAGGSA-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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Related Compounds

(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde
CID 11345833
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 11380222
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-enal
CID 24884888
(3R)-3-methyl-5-triethylsilyloxyhept-6-enal
CID 25112422
2-[(1r,5r,6s)-6-(t-Butyldimethylsilyloxy-methyl)-5-methylcyclohex-3-en-1-yl]ethanal
CID 129746583
{(1s,4r,5r)-5-[t-Butyl(dimethyl)silyloxymethyl]-4-hydroxycyclopent-2-en-1-yl}acetaldehyde
CID 138756345
(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal
CID 146161766
2-[(1R,6S)-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]-4-methylcyclohex-3-en-1-yl]acetaldehyde
CID 162397380
(E,2S,4R,8R,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,8-trimethylundec-6-enal
CID 177865894
3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
CID 59906168
2-[4-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 85416374
methyl 2-[(1S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetate
CID 140749956

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde (CID 11149165) is 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](CC=O)C1.
What is the InChIKey of 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
The InChIKey is LGQXTPIEHGQFGX-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-7-6-11(10-12)8-9-14/h6-7,9,11-12H,8,10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde?
2-[(1S,4S)-4-[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-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 11149165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).