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

C19H38O5Si — CID 175557682

IUPAC[tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate
SMILESCOCOC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)C=C(C)CC(C)OC
InChIInChI=1S/C19H38O5Si/c1-14(12-16(3)22-8)11-15(2)17(23-13-21-7)18(20)24-25(9,10)19(4,5)6/h11,15-17H,12-13H2,1-10H3
InChIKeyUGAAIKHNUHKWFR-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.53
Rot. Bonds10

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

[tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate (PubChem CID 175557682) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate
PubChem CID175557682
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name[tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate
SMILESCOCOC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)C=C(C)CC(C)OC
InChIInChI=1S/C19H38O5Si/c1-14(12-16(3)22-8)11-15(2)17(23-13-21-7)18(20)24-25(9,10)19(4,5)6/h11,15-17H,12-13H2,1-10H3
InChIKeyUGAAIKHNUHKWFR-UHFFFAOYSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
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': '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 [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate (CID 175557682) is [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate 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 [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate?
The InChIKey is UGAAIKHNUHKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-14(12-16(3)22-8)11-15(2)17(23-13-21-7)18(20)24-25(9,10)19(4,5)6/h11,15-17H,12-13H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate?
[tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate has a molecular weight of 374.59 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate is sourced from PubChem (CID 175557682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).