3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one

C12H18OSi — CID 12027223

IUPAC3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
SMILESC[Si](C)(C)C1=C2CCCC=C2CC1=O
InChIInChI=1S/C12H18OSi/c1-14(2,3)12-10-7-5-4-6-9(10)8-11(12)13/h6H,4-5,7-8H2,1-3H3
InChIKeyMQTHJKMBXDAFRR-UHFFFAOYSA-N
MW206.36 g/mol
LogP3.24
Rot. Bonds1

About 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one

3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one (PubChem CID 12027223) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one.

Molecular Properties

Compound Name3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
PubChem CID12027223
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
SMILESC[Si](C)(C)C1=C2CCCC=C2CC1=O
InChIInChI=1S/C12H18OSi/c1-14(2,3)12-10-7-5-4-6-9(10)8-11(12)13/h6H,4-5,7-8H2,1-3H3
InChIKeyMQTHJKMBXDAFRR-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 53.24
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 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The IUPAC name of 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one (CID 12027223) is 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one.
What is the SMILES notation for 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The canonical SMILES for 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one is C[Si](C)(C)C1=C2CCCC=C2CC1=O.
What is the InChIKey of 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
The InChIKey is MQTHJKMBXDAFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14(2,3)12-10-7-5-4-6-9(10)8-11(12)13/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one?
3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one has a molecular weight of 206.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one is sourced from PubChem (CID 12027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).