7-trimethylsilyloxyoct-7-en-2-one

C11H22O2Si — CID 101453303

IUPAC7-trimethylsilyloxyoct-7-en-2-one
SMILESC=C(CCCCC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(12)8-6-7-9-11(2)13-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyDPRJWFWNUVJDQY-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds7

About 7-trimethylsilyloxyoct-7-en-2-one

7-trimethylsilyloxyoct-7-en-2-one (PubChem CID 101453303) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 7-trimethylsilyloxyoct-7-en-2-one.

Molecular Properties

Compound Name7-trimethylsilyloxyoct-7-en-2-one
PubChem CID101453303
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name7-trimethylsilyloxyoct-7-en-2-one
SMILESC=C(CCCCC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(12)8-6-7-9-11(2)13-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyDPRJWFWNUVJDQY-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-trimethylsilyloxyoct-7-en-2-one?
The IUPAC name of 7-trimethylsilyloxyoct-7-en-2-one (CID 101453303) is 7-trimethylsilyloxyoct-7-en-2-one.
What is the SMILES notation for 7-trimethylsilyloxyoct-7-en-2-one?
The canonical SMILES for 7-trimethylsilyloxyoct-7-en-2-one is C=C(CCCCC(C)=O)O[Si](C)(C)C.
What is the InChIKey of 7-trimethylsilyloxyoct-7-en-2-one?
The InChIKey is DPRJWFWNUVJDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(12)8-6-7-9-11(2)13-14(3,4)5/h2,6-9H2,1,3-5H3.
What are the key properties of 7-trimethylsilyloxyoct-7-en-2-one?
7-trimethylsilyloxyoct-7-en-2-one has a molecular weight of 214.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylsilyloxyoct-7-en-2-one is sourced from PubChem (CID 101453303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).