1,17-bis(trimethylsilyl)heptadecane-3,15-dione

C23H48O2Si2 — CID 139254511

IUPAC1,17-bis(trimethylsilyl)heptadecane-3,15-dione
SMILESC[Si](C)(C)CCC(=O)CCCCCCCCCCCC(=O)CC[Si](C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-26(2,3)20-18-22(24)16-14-12-10-8-7-9-11-13-15-17-23(25)19-21-27(4,5)6/h7-21H2,1-6H3
InChIKeyYCYGUYPUDPOEGU-UHFFFAOYSA-N
MW412.81 g/mol
LogP7.87
Rot. Bonds18

About 1,17-bis(trimethylsilyl)heptadecane-3,15-dione

1,17-bis(trimethylsilyl)heptadecane-3,15-dione (PubChem CID 139254511) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is 1,17-bis(trimethylsilyl)heptadecane-3,15-dione.

Molecular Properties

Compound Name1,17-bis(trimethylsilyl)heptadecane-3,15-dione
PubChem CID139254511
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Name1,17-bis(trimethylsilyl)heptadecane-3,15-dione
SMILESC[Si](C)(C)CCC(=O)CCCCCCCCCCCC(=O)CC[Si](C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-26(2,3)20-18-22(24)16-14-12-10-8-7-9-11-13-15-17-23(25)19-21-27(4,5)6/h7-21H2,1-6H3
InChIKeyYCYGUYPUDPOEGU-UHFFFAOYSA-N
XLogP7.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylsilacyclotridecan-7-one
CID 554403
1-Triethylsilyloctan-3-one
CID 10332003
8-Trimethylsilyltetradecan-7-one
CID 12524696
4-Trimethylsilyldecan-5-one
CID 12524697
5-(Trimethylsilyl)decan-4-one
CID 12524698
3-Trimethylsilyloctan-2-one
CID 12524711
7-(Trimethylsilyl)dodecan-6-one
CID 13048500
1-Trimethylsilylundecan-3-one
CID 13225586
1-Trimethylsilylundecan-2-one
CID 13737766
1-Tri(propan-2-yl)silylnon-1-yn-3-one
CID 85790402
2-Tri(propan-2-yl)silylcycloheptan-1-one
CID 85840171
1-[Tert-butyl(dimethyl)silyl]dodec-1-yn-3-one
CID 102442354

Frequently Asked Questions

What is the IUPAC name of 1,17-bis(trimethylsilyl)heptadecane-3,15-dione?
The IUPAC name of 1,17-bis(trimethylsilyl)heptadecane-3,15-dione (CID 139254511) is 1,17-bis(trimethylsilyl)heptadecane-3,15-dione.
What is the SMILES notation for 1,17-bis(trimethylsilyl)heptadecane-3,15-dione?
The canonical SMILES for 1,17-bis(trimethylsilyl)heptadecane-3,15-dione is C[Si](C)(C)CCC(=O)CCCCCCCCCCCC(=O)CC[Si](C)(C)C.
What is the InChIKey of 1,17-bis(trimethylsilyl)heptadecane-3,15-dione?
The InChIKey is YCYGUYPUDPOEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-26(2,3)20-18-22(24)16-14-12-10-8-7-9-11-13-15-17-23(25)19-21-27(4,5)6/h7-21H2,1-6H3.
What are the key properties of 1,17-bis(trimethylsilyl)heptadecane-3,15-dione?
1,17-bis(trimethylsilyl)heptadecane-3,15-dione has a molecular weight of 412.81 g/mol, XLogP of 7.87, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,17-bis(trimethylsilyl)heptadecane-3,15-dione is sourced from PubChem (CID 139254511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).