1-trimethylsilylheptan-1-one

C10H22OSi — CID 12829476

IUPAC1-trimethylsilylheptan-1-one
SMILESCCCCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h5-9H2,1-4H3
InChIKeyHQZUZWVVCZFPGW-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.40
Rot. Bonds6

About 1-trimethylsilylheptan-1-one

1-trimethylsilylheptan-1-one (PubChem CID 12829476) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 1-trimethylsilylheptan-1-one.

Molecular Properties

Compound Name1-trimethylsilylheptan-1-one
PubChem CID12829476
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name1-trimethylsilylheptan-1-one
SMILESCCCCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h5-9H2,1-4H3
InChIKeyHQZUZWVVCZFPGW-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 53.40
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 1-trimethylsilylheptan-1-one?
The IUPAC name of 1-trimethylsilylheptan-1-one (CID 12829476) is 1-trimethylsilylheptan-1-one.
What is the SMILES notation for 1-trimethylsilylheptan-1-one?
The canonical SMILES for 1-trimethylsilylheptan-1-one is CCCCCCC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylheptan-1-one?
The InChIKey is HQZUZWVVCZFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h5-9H2,1-4H3.
What are the key properties of 1-trimethylsilylheptan-1-one?
1-trimethylsilylheptan-1-one has a molecular weight of 186.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylheptan-1-one is sourced from PubChem (CID 12829476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).