bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde

C50H98O14Si4 — CID 157431725

IUPACbis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(C=O)C1.CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(CO)C1.CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/2C13H26O3Si.C12H24O4Si.C12H22O4Si/c2*1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4;2*1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h2*10-11H,7-9H2,1-6H3;9-10,13H,6-8H2,1-5H3;8-10H,6-7H2,1-5H3/t2*10?,11-;2*9-,10?/m1111/s1
InChIKeyBQPSSPVRFGOVLO-AEETYGFCSA-N
MW1035.66 g/mol
LogP11.34
Rot. Bonds12

About bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde

bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde (PubChem CID 157431725) has the molecular formula C50H98O14Si4 and a molecular weight of 1035.66 g/mol. Its IUPAC name is bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde.

Molecular Properties

Compound Namebis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
PubChem CID157431725
Molecular FormulaC50H98O14Si4
Molecular Weight1035.66 g/mol
Exact Mass1034.60
IUPAC Namebis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(C=O)C1.CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(CO)C1.CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/2C13H26O3Si.C12H24O4Si.C12H22O4Si/c2*1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4;2*1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h2*10-11H,7-9H2,1-6H3;9-10,13H,6-8H2,1-5H3;8-10H,6-7H2,1-5H3/t2*10?,11-;2*9-,10?/m1111/s1
InChIKeyBQPSSPVRFGOVLO-AEETYGFCSA-N
XLogP11.34
TPSA179.42 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.66
LogP ≤ 511.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde with MolForge

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(trichloromethyl)oxan-2-one
CID 15341503
6-ethyl-4-hydroxyoxan-2-one
CID 20679563
(3aR,4S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 174065408
(4R,6R)-6-[2-[(1S,2S,6S,8R,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 67838141
(4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 57015050
(6R)-6-[2-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 45039440
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008

Frequently Asked Questions

What is the IUPAC name of bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
The IUPAC name of bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde (CID 157431725) is bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde.
What is the SMILES notation for bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
The canonical SMILES for bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(C=O)C1.CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)OC(CO)C1.CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
The InChIKey is BQPSSPVRFGOVLO-AEETYGFCSA-N. The full InChI is InChI=1S/2C13H26O3Si.C12H24O4Si.C12H22O4Si/c2*1-7-10-8-11(9-12(14)15-10)16-17(5,6)13(2,3)4;2*1-12(2,3)17(4,5)16-9-6-10(8-13)15-11(14)7-9/h2*10-11H,7-9H2,1-6H3;9-10,13H,6-8H2,1-5H3;8-10H,6-7H2,1-5H3/t2*10?,11-;2*9-,10?/m1111/s1.
What are the key properties of bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde?
bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde has a molecular weight of 1035.66 g/mol, XLogP of 11.34, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one);(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde is sourced from PubChem (CID 157431725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).