1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione

C18H38O2Si2 — CID 10712367

IUPAC1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione
SMILESCC(C)(C)[Si](C)(C)C(=O)CCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)15(19)13-11-12-14-16(20)22(9,10)18(4,5)6/h11-14H2,1-10H3
InChIKeyPGNWAQPFVGIHGZ-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.78
Rot. Bonds7

About 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione

1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione (PubChem CID 10712367) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione.

Molecular Properties

Compound Name1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione
PubChem CID10712367
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione
SMILESCC(C)(C)[Si](C)(C)C(=O)CCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)15(19)13-11-12-14-16(20)22(9,10)18(4,5)6/h11-14H2,1-10H3
InChIKeyPGNWAQPFVGIHGZ-UHFFFAOYSA-N
XLogP5.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione?
The IUPAC name of 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione (CID 10712367) is 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione.
What is the SMILES notation for 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione?
The canonical SMILES for 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione is CC(C)(C)[Si](C)(C)C(=O)CCCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione?
The InChIKey is PGNWAQPFVGIHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-17(2,3)21(7,8)15(19)13-11-12-14-16(20)22(9,10)18(4,5)6/h11-14H2,1-10H3.
What are the key properties of 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione?
1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione has a molecular weight of 342.67 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[tert-butyl(dimethyl)silyl]hexane-1,6-dione is sourced from PubChem (CID 10712367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).