2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal

C19H38O5Si — CID 175557680

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
SMILESCOCOC(C=O)(O[Si](C)(C)C(C)(C)C)C(C)C=C(C)CC(C)OC
InChIInChI=1S/C19H38O5Si/c1-15(12-17(3)22-8)11-16(2)19(13-20,23-14-21-7)24-25(9,10)18(4,5)6/h11,13,16-17H,12,14H2,1-10H3
InChIKeyXCDNOYLUVLPJQR-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.53
Rot. Bonds11

About 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal

2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal (PubChem CID 175557680) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
PubChem CID175557680
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
SMILESCOCOC(C=O)(O[Si](C)(C)C(C)(C)C)C(C)C=C(C)CC(C)OC
InChIInChI=1S/C19H38O5Si/c1-15(12-17(3)22-8)11-16(2)19(13-20,23-14-21-7)24-25(9,10)18(4,5)6/h11,13,16-17H,12,14H2,1-10H3
InChIKeyXCDNOYLUVLPJQR-UHFFFAOYSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal (CID 175557680) is 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal is COCOC(C=O)(O[Si](C)(C)C(C)(C)C)C(C)C=C(C)CC(C)OC.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
The InChIKey is XCDNOYLUVLPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-15(12-17(3)22-8)11-16(2)19(13-20,23-14-21-7)24-25(9,10)18(4,5)6/h11,13,16-17H,12,14H2,1-10H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal has a molecular weight of 374.59 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal is sourced from PubChem (CID 175557680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).