3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal

C19H36O3Si — CID 59906168

IUPAC3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
SMILESCC[C@@H](/C=C/[C@H]1OC[C@H](C)[C@@H]1CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-8-16(22-23(6,7)19(3,4)5)11-12-18-17(10-9-13-20)15(2)14-21-18/h11-13,15-18H,8-10,14H2,1-7H3/b12-11+/t15-,16-,17-,18+/m0/s1
InChIKeyFROSNOKRKRLZLR-JJPQWZBKSA-N
MW340.58 g/mol
LogP4.97
Rot. Bonds8

About 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal

3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal (PubChem CID 59906168) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal.

Molecular Properties

Compound Name3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
PubChem CID59906168
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
SMILESCC[C@@H](/C=C/[C@H]1OC[C@H](C)[C@@H]1CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-8-16(22-23(6,7)19(3,4)5)11-12-18-17(10-9-13-20)15(2)14-21-18/h11-13,15-18H,8-10,14H2,1-7H3/b12-11+/t15-,16-,17-,18+/m0/s1
InChIKeyFROSNOKRKRLZLR-JJPQWZBKSA-N
XLogP4.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclopent-2-en-1-yl]acetate
CID 135082717
4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal
CID 11429012
3-[(2R,3S,4R)-4-methyl-2-[(E,3S)-3-methylpent-1-enyl]oxolan-3-yl]propanal
CID 59094313
propan-2-yl (Z)-7-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]hept-4-enoate
CID 59906165
3-[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]oxolan-3-yl]propanal
CID 60080958
2-[4-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 85416374
2-[(1S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 173576499
2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]acetaldehyde
CID 11149165
[(1R,4S,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxyoct-2-enyl]-4-(2-oxoethyl)cyclopent-2-en-1-yl] acetate
CID 11154067
3-[(2R,4R,5R)-4-methyl-5-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]oxolan-2-yl]propanal
CID 11451492
[(1R,4S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-4-(2-oxoethyl)cyclopent-2-en-1-yl] acetate
CID 11486646
3-[4-methyl-2-[(E)-3-methylpent-1-enyl]oxolan-3-yl]propanal
CID 21359243

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
The IUPAC name of 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal (CID 59906168) is 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal.
What is the SMILES notation for 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
The canonical SMILES for 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal is CC[C@@H](/C=C/[C@H]1OC[C@H](C)[C@@H]1CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
The InChIKey is FROSNOKRKRLZLR-JJPQWZBKSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-16(22-23(6,7)19(3,4)5)11-12-18-17(10-9-13-20)15(2)14-21-18/h11-13,15-18H,8-10,14H2,1-7H3/b12-11+/t15-,16-,17-,18+/m0/s1.
What are the key properties of 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal has a molecular weight of 340.58 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,4R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal is sourced from PubChem (CID 59906168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).