trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate

C14H26O2Si — CID 23381998

IUPACtrimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1C2CC(CC(=O)O[Si](C)(C)C)C(C2)C1C
InChIInChI=1S/C14H26O2Si/c1-9-10(2)13-7-11(9)6-12(13)8-14(15)16-17(3,4)5/h9-13H,6-8H2,1-5H3
InChIKeyLPGYHDNTIAHOBB-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.68
Rot. Bonds3

About trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate

trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 23381998) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID23381998
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametrimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1C2CC(CC(=O)O[Si](C)(C)C)C(C2)C1C
InChIInChI=1S/C14H26O2Si/c1-9-10(2)13-7-11(9)6-12(13)8-14(15)16-17(3,4)5/h9-13H,6-8H2,1-5H3
InChIKeyLPGYHDNTIAHOBB-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate (CID 23381998) is trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate is CC1C2CC(CC(=O)O[Si](C)(C)C)C(C2)C1C.
What is the InChIKey of trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is LPGYHDNTIAHOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-9-10(2)13-7-11(9)6-12(13)8-14(15)16-17(3,4)5/h9-13H,6-8H2,1-5H3.
What are the key properties of trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 254.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 23381998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).