2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde

C19H34O5Si — CID 140666026

IUPAC2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde
SMILESCO[C@H]1[C@H](C2(C)O[C@@H]2CC=O)[C@]2(CC[C@H]1O[Si](C)(C)C(C)(C)C)CO2
InChIInChI=1S/C19H34O5Si/c1-17(2,3)25(6,7)24-13-8-10-19(12-22-19)16(15(13)21-5)18(4)14(23-18)9-11-20/h11,13-16H,8-10,12H2,1-7H3/t13-,14-,15-,16-,18?,19+/m1/s1
InChIKeyMFBVMLLSEKMNJG-JUSXUFPHSA-N
MW370.56 g/mol
LogP3.32
Rot. Bonds6

About 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde

2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde (PubChem CID 140666026) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde
PubChem CID140666026
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde
SMILESCO[C@H]1[C@H](C2(C)O[C@@H]2CC=O)[C@]2(CC[C@H]1O[Si](C)(C)C(C)(C)C)CO2
InChIInChI=1S/C19H34O5Si/c1-17(2,3)25(6,7)24-13-8-10-19(12-22-19)16(15(13)21-5)18(4)14(23-18)9-11-20/h11,13-16H,8-10,12H2,1-7H3/t13-,14-,15-,16-,18?,19+/m1/s1
InChIKeyMFBVMLLSEKMNJG-JUSXUFPHSA-N
XLogP3.32
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.32
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde (CID 140666026) is 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde is CO[C@H]1[C@H](C2(C)O[C@@H]2CC=O)[C@]2(CC[C@H]1O[Si](C)(C)C(C)(C)C)CO2.
What is the InChIKey of 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde?
The InChIKey is MFBVMLLSEKMNJG-JUSXUFPHSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-17(2,3)25(6,7)24-13-8-10-19(12-22-19)16(15(13)21-5)18(4)14(23-18)9-11-20/h11,13-16H,8-10,12H2,1-7H3/t13-,14-,15-,16-,18?,19+/m1/s1.
What are the key properties of 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde?
2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde has a molecular weight of 370.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-[(3R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetaldehyde is sourced from PubChem (CID 140666026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).