1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one

C19H42O5Si2 — CID 87595576

IUPAC1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one
SMILESCO[Si](C)(CCCCC(C)C(=O)C(C)CCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C19H42O5Si2/c1-17(13-9-11-15-25(7,21-3)22-4)19(20)18(2)14-10-12-16-26(8,23-5)24-6/h17-18H,9-16H2,1-8H3
InChIKeyFVTGHCLWRZUQFN-UHFFFAOYSA-N
MW406.71 g/mol
LogP4.90
Rot. Bonds16

About 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one

1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one (PubChem CID 87595576) has the molecular formula C19H42O5Si2 and a molecular weight of 406.71 g/mol. Its IUPAC name is 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one.

Molecular Properties

Compound Name1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one
PubChem CID87595576
Molecular FormulaC19H42O5Si2
Molecular Weight406.71 g/mol
Exact Mass406.26
IUPAC Name1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one
SMILESCO[Si](C)(CCCCC(C)C(=O)C(C)CCCC[Si](C)(OC)OC)OC
InChIInChI=1S/C19H42O5Si2/c1-17(13-9-11-15-25(7,21-3)22-4)19(20)18(2)14-10-12-16-26(8,23-5)24-6/h17-18H,9-16H2,1-8H3
InChIKeyFVTGHCLWRZUQFN-UHFFFAOYSA-N
XLogP4.90
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one?
The IUPAC name of 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one (CID 87595576) is 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one.
What is the SMILES notation for 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one?
The canonical SMILES for 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one is CO[Si](C)(CCCCC(C)C(=O)C(C)CCCC[Si](C)(OC)OC)OC.
What is the InChIKey of 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one?
The InChIKey is FVTGHCLWRZUQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O5Si2/c1-17(13-9-11-15-25(7,21-3)22-4)19(20)18(2)14-10-12-16-26(8,23-5)24-6/h17-18H,9-16H2,1-8H3.
What are the key properties of 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one?
1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one has a molecular weight of 406.71 g/mol, XLogP of 4.90, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-bis[dimethoxy(methyl)silyl]-5,7-dimethylundecan-6-one is sourced from PubChem (CID 87595576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).