1,1-dimethylsilocan-5-one

C9H18OSi — CID 575201

IUPAC1,1-dimethylsilocan-5-one
SMILESC[Si]1(C)CCCC(=O)CCC1
InChIInChI=1S/C9H18OSi/c1-11(2)7-3-5-9(10)6-4-8-11/h3-8H2,1-2H3
InChIKeyIQRKKWHCGORCLF-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.84
Rot. Bonds

About 1,1-dimethylsilocan-5-one

1,1-dimethylsilocan-5-one (PubChem CID 575201) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 1,1-dimethylsilocan-5-one.

Molecular Properties

Compound Name1,1-dimethylsilocan-5-one
PubChem CID575201
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name1,1-dimethylsilocan-5-one
SMILESC[Si]1(C)CCCC(=O)CCC1
InChIInChI=1S/C9H18OSi/c1-11(2)7-3-5-9(10)6-4-8-11/h3-8H2,1-2H3
InChIKeyIQRKKWHCGORCLF-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dimethylsilocan-5-one?
The IUPAC name of 1,1-dimethylsilocan-5-one (CID 575201) is 1,1-dimethylsilocan-5-one.
What is the SMILES notation for 1,1-dimethylsilocan-5-one?
The canonical SMILES for 1,1-dimethylsilocan-5-one is C[Si]1(C)CCCC(=O)CCC1.
What is the InChIKey of 1,1-dimethylsilocan-5-one?
The InChIKey is IQRKKWHCGORCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-11(2)7-3-5-9(10)6-4-8-11/h3-8H2,1-2H3.
What are the key properties of 1,1-dimethylsilocan-5-one?
1,1-dimethylsilocan-5-one has a molecular weight of 170.33 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilocan-5-one is sourced from PubChem (CID 575201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).