(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one

C34H54O5Si2 — CID 101224406

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one
SMILESCC(=O)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H54O5Si2/c1-25(23-26(2)35)30(39-40(11,12)32(3,4)5)31-29(37-34(9,10)38-31)24-36-41(33(6,7)8,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,25,29-31H,23-24H2,1-12H3/t25-,29-,30+,31-/m0/s1
InChIKeyPIHZKGGKGLRKOF-GFABANNXSA-N
MW598.97 g/mol
LogP7.09
Rot. Bonds11

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one (PubChem CID 101224406) has the molecular formula C34H54O5Si2 and a molecular weight of 598.97 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one
PubChem CID101224406
Molecular FormulaC34H54O5Si2
Molecular Weight598.97 g/mol
Exact Mass598.35
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one
SMILESCC(=O)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H54O5Si2/c1-25(23-26(2)35)30(39-40(11,12)32(3,4)5)31-29(37-34(9,10)38-31)24-36-41(33(6,7)8,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,25,29-31H,23-24H2,1-12H3/t25-,29-,30+,31-/m0/s1
InChIKeyPIHZKGGKGLRKOF-GFABANNXSA-N
XLogP7.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.97
LogP ≤ 57.09
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

(4S,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 14215134
(2R,3S)-4-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-3,3-dimethyloxan-2-yl]-2-methyl-3-triethylsilyloxybutanal
CID 16070251
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
CID 71523783
(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
CID 71523785
(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one
CID 101118185
(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal
CID 102089639
4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate
CID 102392249
1-[(4S,6S)-6-[(3S)-3-[tert-butyl(diphenyl)silyl]oxyhexyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-4-en-2-one
CID 134835889
1-[(2R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
CID 134851825
1-[(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propan-2-one
CID 134851974
(4S,11R,12S,13S)-13-[tert-butyl(diphenyl)silyl]oxy-12-(methoxymethoxy)-4,11-dimethyl-14-[(4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]-7-propyltetradec-1-ene-5,9-dione
CID 134917066
CID 134931063
CID 134931063

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one (CID 101224406) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one is CC(=O)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one?
The InChIKey is PIHZKGGKGLRKOF-GFABANNXSA-N. The full InChI is InChI=1S/C34H54O5Si2/c1-25(23-26(2)35)30(39-40(11,12)32(3,4)5)31-29(37-34(9,10)38-31)24-36-41(33(6,7)8,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,25,29-31H,23-24H2,1-12H3/t25-,29-,30+,31-/m0/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one has a molecular weight of 598.97 g/mol, XLogP of 7.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-one is sourced from PubChem (CID 101224406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).