1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C16H30O2Si — CID 59893678

IUPAC1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C[Si](C)(C)C)OC(=O)C1CC2CC1C(C)C2C
InChIInChI=1S/C16H30O2Si/c1-10(9-19(4,5)6)18-16(17)15-8-13-7-14(15)12(3)11(13)2/h10-15H,7-9H2,1-6H3
InChIKeyBAIFXDHVPNHYMA-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.18
Rot. Bonds4

About 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59893678) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59893678
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C[Si](C)(C)C)OC(=O)C1CC2CC1C(C)C2C
InChIInChI=1S/C16H30O2Si/c1-10(9-19(4,5)6)18-16(17)15-8-13-7-14(15)12(3)11(13)2/h10-15H,7-9H2,1-6H3
InChIKeyBAIFXDHVPNHYMA-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.18
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 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 59893678) is 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC(C[Si](C)(C)C)OC(=O)C1CC2CC1C(C)C2C.
What is the InChIKey of 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is BAIFXDHVPNHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-10(9-19(4,5)6)18-16(17)15-8-13-7-14(15)12(3)11(13)2/h10-15H,7-9H2,1-6H3.
What are the key properties of 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 282.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylpropan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59893678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).