methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate

C28H62O5Si3 — CID 140529967

IUPACmethyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate
SMILESCC[Si](CC)(CC)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCC(=O)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C28H62O5Si3/c1-14-34(15-2,16-3)31-22-27(33-36(23(7)8,24(9)10)25(11)12)26(20-21-28(29)30-13)32-35(17-4,18-5)19-6/h23-27H,14-22H2,1-13H3/t26-,27+/m0/s1
InChIKeyDHRRLBRVARFJSR-RRPNLBNLSA-N
MW563.06 g/mol
LogP8.91
Rot. Bonds20

About methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate

methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate (PubChem CID 140529967) has the molecular formula C28H62O5Si3 and a molecular weight of 563.06 g/mol. Its IUPAC name is methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate.

Molecular Properties

Compound Namemethyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate
PubChem CID140529967
Molecular FormulaC28H62O5Si3
Molecular Weight563.06 g/mol
Exact Mass562.39
IUPAC Namemethyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate
SMILESCC[Si](CC)(CC)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCC(=O)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C28H62O5Si3/c1-14-34(15-2,16-3)31-22-27(33-36(23(7)8,24(9)10)25(11)12)26(20-21-28(29)30-13)32-35(17-4,18-5)19-6/h23-27H,14-22H2,1-13H3/t26-,27+/m0/s1
InChIKeyDHRRLBRVARFJSR-RRPNLBNLSA-N
XLogP8.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.06
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (5S,6R)-5,6-bis(triethylsilyloxy)oct-7-ynoate
CID 154727870
methyl (4S,5S,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyheptanoate
CID 24828635
dimethyl 4-methylheptanedioate
CID 521222
methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
CID 10990672
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl 2-tri(propan-2-yl)silyloxyacetate
CID 10377278
methyl 4,5-dibutylnonanoate
CID 166001971
methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 14760943
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate?
The IUPAC name of methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate (CID 140529967) is methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate.
What is the SMILES notation for methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate?
The canonical SMILES for methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate is CC[Si](CC)(CC)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCC(=O)OC)O[Si](CC)(CC)CC.
What is the InChIKey of methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate?
The InChIKey is DHRRLBRVARFJSR-RRPNLBNLSA-N. The full InChI is InChI=1S/C28H62O5Si3/c1-14-34(15-2,16-3)31-22-27(33-36(23(7)8,24(9)10)25(11)12)26(20-21-28(29)30-13)32-35(17-4,18-5)19-6/h23-27H,14-22H2,1-13H3/t26-,27+/m0/s1.
What are the key properties of methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate?
methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate has a molecular weight of 563.06 g/mol, XLogP of 8.91, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanoate is sourced from PubChem (CID 140529967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).