7-trimethylsilyldodecan-6-one

C15H32OSi — CID 13048500

IUPAC7-trimethylsilyldodecan-6-one
SMILESCCCCCC(=O)C(CCCCC)[Si](C)(C)C
InChIInChI=1S/C15H32OSi/c1-6-8-10-12-14(16)15(17(3,4)5)13-11-9-7-2/h15H,6-13H2,1-5H3
InChIKeyHATFUVTYSGVJRG-UHFFFAOYSA-N
MW256.51 g/mol
LogP5.42
Rot. Bonds10

About 7-trimethylsilyldodecan-6-one

7-trimethylsilyldodecan-6-one (PubChem CID 13048500) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is 7-trimethylsilyldodecan-6-one.

Molecular Properties

Compound Name7-trimethylsilyldodecan-6-one
PubChem CID13048500
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Name7-trimethylsilyldodecan-6-one
SMILESCCCCCC(=O)C(CCCCC)[Si](C)(C)C
InChIInChI=1S/C15H32OSi/c1-6-8-10-12-14(16)15(17(3,4)5)13-11-9-7-2/h15H,6-13H2,1-5H3
InChIKeyHATFUVTYSGVJRG-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-trimethylsilyldodecan-6-one?
The IUPAC name of 7-trimethylsilyldodecan-6-one (CID 13048500) is 7-trimethylsilyldodecan-6-one.
What is the SMILES notation for 7-trimethylsilyldodecan-6-one?
The canonical SMILES for 7-trimethylsilyldodecan-6-one is CCCCCC(=O)C(CCCCC)[Si](C)(C)C.
What is the InChIKey of 7-trimethylsilyldodecan-6-one?
The InChIKey is HATFUVTYSGVJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi/c1-6-8-10-12-14(16)15(17(3,4)5)13-11-9-7-2/h15H,6-13H2,1-5H3.
What are the key properties of 7-trimethylsilyldodecan-6-one?
7-trimethylsilyldodecan-6-one has a molecular weight of 256.51 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylsilyldodecan-6-one is sourced from PubChem (CID 13048500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).