1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione

C15H30O2Si — CID 134992906

IUPAC1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione
SMILESCC(CC(=O)C(C)C)CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-11(2)13(16)9-12(3)10-14(17)18(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyCKYKECJFCJRFOV-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.24
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione

1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione (PubChem CID 134992906) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione
PubChem CID134992906
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione
SMILESCC(CC(=O)C(C)C)CC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-11(2)13(16)9-12(3)10-14(17)18(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyCKYKECJFCJRFOV-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione (CID 134992906) is 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione is CC(CC(=O)C(C)C)CC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione?
The InChIKey is CKYKECJFCJRFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11(2)13(16)9-12(3)10-14(17)18(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione?
1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione has a molecular weight of 270.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-3,6-dimethylheptane-1,5-dione is sourced from PubChem (CID 134992906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).