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

C28H60O5Si2 — CID 14608699

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal
SMILESCOC(CC(C)C=O)C(O[Si](C)(C)C(C)(C)C)C(CC(C)CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C28H60O5Si2/c1-20(2)35(21(3)4,22(5)6)32-19-24(8)17-26(31-13)27(25(30-12)16-23(7)18-29)33-34(14,15)28(9,10)11/h18,20-27H,16-17,19H2,1-15H3
InChIKeyWWBBUANBOACRPQ-UHFFFAOYSA-N
MW532.96 g/mol
LogP7.85
Rot. Bonds17

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

5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal (PubChem CID 14608699) has the molecular formula C28H60O5Si2 and a molecular weight of 532.96 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal
PubChem CID14608699
Molecular FormulaC28H60O5Si2
Molecular Weight532.96 g/mol
Exact Mass532.40
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal
SMILESCOC(CC(C)C=O)C(O[Si](C)(C)C(C)(C)C)C(CC(C)CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C28H60O5Si2/c1-20(2)35(21(3)4,22(5)6)32-19-24(8)17-26(31-13)27(25(30-12)16-23(7)18-29)33-34(14,15)28(9,10)11/h18,20-27H,16-17,19H2,1-15H3
InChIKeyWWBBUANBOACRPQ-UHFFFAOYSA-N
XLogP7.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.96
LogP ≤ 57.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal (CID 14608699) is 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal is COC(CC(C)C=O)C(O[Si](C)(C)C(C)(C)C)C(CC(C)CO[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal?
The InChIKey is WWBBUANBOACRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O5Si2/c1-20(2)35(21(3)4,22(5)6)32-19-24(8)17-26(31-13)27(25(30-12)16-23(7)18-29)33-34(14,15)28(9,10)11/h18,20-27H,16-17,19H2,1-15H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal?
5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal has a molecular weight of 532.96 g/mol, XLogP of 7.85, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal is sourced from PubChem (CID 14608699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).