1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one

C23H50O5Si2 — CID 87593246

IUPAC1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one
SMILESCCO[Si](C)(CCCC(CC)C(=O)C(CC)CCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C23H50O5Si2/c1-9-21(17-15-19-29(7,25-11-3)26-12-4)23(24)22(10-2)18-16-20-30(8,27-13-5)28-14-6/h21-22H,9-20H2,1-8H3
InChIKeyUXPHHYOLSGULGD-UHFFFAOYSA-N
MW462.82 g/mol
LogP6.46
Rot. Bonds20

About 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one

1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one (PubChem CID 87593246) has the molecular formula C23H50O5Si2 and a molecular weight of 462.82 g/mol. Its IUPAC name is 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one.

Molecular Properties

Compound Name1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one
PubChem CID87593246
Molecular FormulaC23H50O5Si2
Molecular Weight462.82 g/mol
Exact Mass462.32
IUPAC Name1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one
SMILESCCO[Si](C)(CCCC(CC)C(=O)C(CC)CCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C23H50O5Si2/c1-9-21(17-15-19-29(7,25-11-3)26-12-4)23(24)22(10-2)18-16-20-30(8,27-13-5)28-14-6/h21-22H,9-20H2,1-8H3
InChIKeyUXPHHYOLSGULGD-UHFFFAOYSA-N
XLogP6.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one?
The IUPAC name of 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one (CID 87593246) is 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one.
What is the SMILES notation for 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one?
The canonical SMILES for 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one is CCO[Si](C)(CCCC(CC)C(=O)C(CC)CCC[Si](C)(OCC)OCC)OCC.
What is the InChIKey of 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one?
The InChIKey is UXPHHYOLSGULGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si2/c1-9-21(17-15-19-29(7,25-11-3)26-12-4)23(24)22(10-2)18-16-20-30(8,27-13-5)28-14-6/h21-22H,9-20H2,1-8H3.
What are the key properties of 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one?
1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one has a molecular weight of 462.82 g/mol, XLogP of 6.46, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one is sourced from PubChem (CID 87593246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).