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

C19H36O3Si — CID 22967121

IUPAC3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
SMILESCCC(/C=C/C1OCC(C)C1CCC=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+
InChIKeyFROSNOKRKRLZLR-VAWYXSNFSA-N
MW340.58 g/mol
LogP4.97
Rot. Bonds8

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

3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal (PubChem CID 22967121) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal.

Molecular Properties

Compound Name3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
PubChem CID22967121
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal
SMILESCCC(/C=C/C1OCC(C)C1CCC=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+
InChIKeyFROSNOKRKRLZLR-VAWYXSNFSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
The IUPAC name of 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal (CID 22967121) is 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal.
What is the SMILES notation for 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
The canonical SMILES for 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal is CCC(/C=C/C1OCC(C)C1CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
The InChIKey is FROSNOKRKRLZLR-VAWYXSNFSA-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+.
What are the key properties of 3-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal?
3-[2-[(E)-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-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-4-methyloxolan-3-yl]propanal is sourced from PubChem (CID 22967121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).