3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal

C18H50O7Si7 — CID 169242948

IUPAC3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(CCC=O)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H50O7Si7/c1-26(2,3)20-31(14,21-27(4,5)6)24-30(13,18-16-17-19)25-32(15,22-28(7,8)9)23-29(10,11)12/h17H,16,18H2,1-15H3
InChIKeyMUVMCNMDAYDIIY-UHFFFAOYSA-N
MW575.19 g/mol
LogP6.22
Rot. Bonds15

About 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal

3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal (PubChem CID 169242948) has the molecular formula C18H50O7Si7 and a molecular weight of 575.19 g/mol. Its IUPAC name is 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal.

Molecular Properties

Compound Name3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal
PubChem CID169242948
Molecular FormulaC18H50O7Si7
Molecular Weight575.19 g/mol
Exact Mass574.19
IUPAC Name3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(CCC=O)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H50O7Si7/c1-26(2,3)20-31(14,21-27(4,5)6)24-30(13,18-16-17-19)25-32(15,22-28(7,8)9)23-29(10,11)12/h17H,16,18H2,1-15H3
InChIKeyMUVMCNMDAYDIIY-UHFFFAOYSA-N
XLogP6.22
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.19
LogP ≤ 56.22
H-Bond Donors ≤ 50
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 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal?
The IUPAC name of 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal (CID 169242948) is 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal.
What is the SMILES notation for 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal?
The canonical SMILES for 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal is C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(CCC=O)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal?
The InChIKey is MUVMCNMDAYDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H50O7Si7/c1-26(2,3)20-31(14,21-27(4,5)6)24-30(13,18-16-17-19)25-32(15,22-28(7,8)9)23-29(10,11)12/h17H,16,18H2,1-15H3.
What are the key properties of 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal?
3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal has a molecular weight of 575.19 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis[[methyl-bis(trimethylsilyloxy)silyl]oxy]silyl]propanal is sourced from PubChem (CID 169242948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).