(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal

C18H40O3Si2 — CID 10959361

IUPAC(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal
SMILESCCC(O[Si](C)(C)C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C18H40O3Si2/c1-12-16(20-22(7,8)9)15(3)17(14(2)13-19)21-23(10,11)18(4,5)6/h13-17H,12H2,1-11H3/t14-,15+,16?,17-/m0/s1
InChIKeyIHRMVNZCOJRUHX-WFVVYAPDSA-N
MW360.69 g/mol
LogP5.48
Rot. Bonds9

About (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal

(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal (PubChem CID 10959361) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal.

Molecular Properties

Compound Name(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal
PubChem CID10959361
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal
SMILESCCC(O[Si](C)(C)C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C18H40O3Si2/c1-12-16(20-22(7,8)9)15(3)17(14(2)13-19)21-23(10,11)18(4,5)6/h13-17H,12H2,1-11H3/t14-,15+,16?,17-/m0/s1
InChIKeyIHRMVNZCOJRUHX-WFVVYAPDSA-N
XLogP5.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal?
The IUPAC name of (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal (CID 10959361) is (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal.
What is the SMILES notation for (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal?
The canonical SMILES for (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal is CCC(O[Si](C)(C)C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal?
The InChIKey is IHRMVNZCOJRUHX-WFVVYAPDSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-12-16(20-22(7,8)9)15(3)17(14(2)13-19)21-23(10,11)18(4,5)6/h13-17H,12H2,1-11H3/t14-,15+,16?,17-/m0/s1.
What are the key properties of (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal?
(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal has a molecular weight of 360.69 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trimethylsilyloxyheptanal is sourced from PubChem (CID 10959361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).