2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde

C32H70O7Si4 — CID 11456667

IUPAC2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(O)(CC=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H70O7Si4/c1-28(2,3)40(13,14)35-23-24(37-41(15,16)29(4,5)6)25-26(38-42(17,18)30(7,8)9)27(32(34,36-25)21-22-33)39-43(19,20)31(10,11)12/h22,24-27,34H,21,23H2,1-20H3/t24-,25-,26+,27-,32?/m1/s1
InChIKeyPEYQOALFFRTTEH-PZFLESAZSA-N
MW679.25 g/mol
LogP8.86
Rot. Bonds12

About 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde

2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde (PubChem CID 11456667) has the molecular formula C32H70O7Si4 and a molecular weight of 679.25 g/mol. Its IUPAC name is 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde
PubChem CID11456667
Molecular FormulaC32H70O7Si4
Molecular Weight679.25 g/mol
Exact Mass678.42
IUPAC Name2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(O)(CC=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H70O7Si4/c1-28(2,3)40(13,14)35-23-24(37-41(15,16)29(4,5)6)25-26(38-42(17,18)30(7,8)9)27(32(34,36-25)21-22-33)39-43(19,20)31(10,11)12/h22,24-27,34H,21,23H2,1-20H3/t24-,25-,26+,27-,32?/m1/s1
InChIKeyPEYQOALFFRTTEH-PZFLESAZSA-N
XLogP8.86
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.25
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde (CID 11456667) is 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(O)(CC=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde?
The InChIKey is PEYQOALFFRTTEH-PZFLESAZSA-N. The full InChI is InChI=1S/C32H70O7Si4/c1-28(2,3)40(13,14)35-23-24(37-41(15,16)29(4,5)6)25-26(38-42(17,18)30(7,8)9)27(32(34,36-25)21-22-33)39-43(19,20)31(10,11)12/h22,24-27,34H,21,23H2,1-20H3/t24-,25-,26+,27-,32?/m1/s1.
What are the key properties of 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde?
2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde has a molecular weight of 679.25 g/mol, XLogP of 8.86, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyoxolan-2-yl]acetaldehyde is sourced from PubChem (CID 11456667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).