(6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate

C25H34O4Si — CID 175693360

IUPAC(6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCC1CCC(OC(=O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C25H34O4Si/c1-19-16-17-21(18-27-19)28-24(26)20(2)29-30(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21H,16-18H2,1-5H3/t19?,20-,21?/m1/s1
InChIKeyCXEIUYZKMGROKW-NYLDSWQDSA-N
MW426.63 g/mol
LogP4.06
Rot. Bonds6

About (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate

(6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate (PubChem CID 175693360) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate.

Molecular Properties

Compound Name(6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
PubChem CID175693360
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Name(6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCC1CCC(OC(=O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C25H34O4Si/c1-19-16-17-21(18-27-19)28-24(26)20(2)29-30(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21H,16-18H2,1-5H3/t19?,20-,21?/m1/s1
InChIKeyCXEIUYZKMGROKW-NYLDSWQDSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140927189
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140818581
(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140818524
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
6-[1-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 140747666
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 140818496
(1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 101072666
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327
propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 71016910
4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 123743890
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960

Frequently Asked Questions

What is the IUPAC name of (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The IUPAC name of (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate (CID 175693360) is (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate.
What is the SMILES notation for (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The canonical SMILES for (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate is CC1CCC(OC(=O)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1.
What is the InChIKey of (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The InChIKey is CXEIUYZKMGROKW-NYLDSWQDSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-19-16-17-21(18-27-19)28-24(26)20(2)29-30(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21H,16-18H2,1-5H3/t19?,20-,21?/m1/s1.
What are the key properties of (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
(6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate has a molecular weight of 426.63 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyloxan-3-yl) (2R)-2-[tert-butyl(diphenyl)silyl]oxypropanoate is sourced from PubChem (CID 175693360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).