7-trimethoxysilylheptan-2-one

C10H22O4Si — CID 58323978

IUPAC7-trimethoxysilylheptan-2-one
SMILESCO[Si](CCCCCC(C)=O)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-10(11)8-6-5-7-9-15(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyRYGKKTXACFNSRT-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.01
Rot. Bonds9

About 7-trimethoxysilylheptan-2-one

7-trimethoxysilylheptan-2-one (PubChem CID 58323978) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 7-trimethoxysilylheptan-2-one.

Molecular Properties

Compound Name7-trimethoxysilylheptan-2-one
PubChem CID58323978
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name7-trimethoxysilylheptan-2-one
SMILESCO[Si](CCCCCC(C)=O)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-10(11)8-6-5-7-9-15(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyRYGKKTXACFNSRT-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-trimethoxysilylheptan-2-one?
The IUPAC name of 7-trimethoxysilylheptan-2-one (CID 58323978) is 7-trimethoxysilylheptan-2-one.
What is the SMILES notation for 7-trimethoxysilylheptan-2-one?
The canonical SMILES for 7-trimethoxysilylheptan-2-one is CO[Si](CCCCCC(C)=O)(OC)OC.
What is the InChIKey of 7-trimethoxysilylheptan-2-one?
The InChIKey is RYGKKTXACFNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-10(11)8-6-5-7-9-15(12-2,13-3)14-4/h5-9H2,1-4H3.
What are the key properties of 7-trimethoxysilylheptan-2-one?
7-trimethoxysilylheptan-2-one has a molecular weight of 234.37 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethoxysilylheptan-2-one is sourced from PubChem (CID 58323978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).