(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal

C14H30O4Si — CID 46899842

IUPAC(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal
SMILESCOCO[C@@H](CC=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(13(8-9-15)17-11-16-5)10-18-19(6,7)14(2,3)4/h9,12-13H,8,10-11H2,1-7H3/t12-,13+/m1/s1
InChIKeyYOWDQUXOHNZAAP-OLZOCXBDSA-N
MW290.48 g/mol
LogP3.22
Rot. Bonds9

About (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal

(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal (PubChem CID 46899842) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal.

Molecular Properties

Compound Name(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal
PubChem CID46899842
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal
SMILESCOCO[C@@H](CC=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(13(8-9-15)17-11-16-5)10-18-19(6,7)14(2,3)4/h9,12-13H,8,10-11H2,1-7H3/t12-,13+/m1/s1
InChIKeyYOWDQUXOHNZAAP-OLZOCXBDSA-N
XLogP3.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal?
The IUPAC name of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal (CID 46899842) is (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal.
What is the SMILES notation for (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal?
The canonical SMILES for (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal is COCO[C@@H](CC=O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal?
The InChIKey is YOWDQUXOHNZAAP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-12(13(8-9-15)17-11-16-5)10-18-19(6,7)14(2,3)4/h9,12-13H,8,10-11H2,1-7H3/t12-,13+/m1/s1.
What are the key properties of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal?
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal has a molecular weight of 290.48 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal is sourced from PubChem (CID 46899842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).