(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal

C30H64O5Si2 — CID 57005796

IUPAC(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal
SMILESCCC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)C=O)OC
InChIInChI=1S/C30H64O5Si2/c1-17-26(34-37(21(2)3,22(4)5)23(6)7)25(9)19-28(33-14)29(27(32-13)18-24(8)20-31)35-36(15,16)30(10,11)12/h20-29H,17-19H2,1-16H3/t24-,25-,26?,27+,28+,29+/m1/s1
InChIKeyCUTPGEIEDZBSMK-OLAHTZPUSA-N
MW561.01 g/mol
LogP8.63
Rot. Bonds18

About (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal

(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal (PubChem CID 57005796) has the molecular formula C30H64O5Si2 and a molecular weight of 561.01 g/mol. Its IUPAC name is (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal.

Molecular Properties

Compound Name(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal
PubChem CID57005796
Molecular FormulaC30H64O5Si2
Molecular Weight561.01 g/mol
Exact Mass560.43
IUPAC Name(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal
SMILESCCC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)C=O)OC
InChIInChI=1S/C30H64O5Si2/c1-17-26(34-37(21(2)3,22(4)5)23(6)7)25(9)19-28(33-14)29(27(32-13)18-24(8)20-31)35-36(15,16)30(10,11)12/h20-29H,17-19H2,1-16H3/t24-,25-,26?,27+,28+,29+/m1/s1
InChIKeyCUTPGEIEDZBSMK-OLAHTZPUSA-N
XLogP8.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.01
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal?
The IUPAC name of (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal (CID 57005796) is (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal.
What is the SMILES notation for (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal?
The canonical SMILES for (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal is CCC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H](C)C=O)OC.
What is the InChIKey of (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal?
The InChIKey is CUTPGEIEDZBSMK-OLAHTZPUSA-N. The full InChI is InChI=1S/C30H64O5Si2/c1-17-26(34-37(21(2)3,22(4)5)23(6)7)25(9)19-28(33-14)29(27(32-13)18-24(8)20-31)35-36(15,16)30(10,11)12/h20-29H,17-19H2,1-16H3/t24-,25-,26?,27+,28+,29+/m1/s1.
What are the key properties of (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal?
(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal has a molecular weight of 561.01 g/mol, XLogP of 8.63, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal is sourced from PubChem (CID 57005796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).