1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol

C13H26O2Si — CID 141237439

IUPAC1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(O[Si](C)(C)C)C2
InChIInChI=1S/C13H26O2Si/c1-11(2)10-7-8-12(11,3)13(14,9-10)15-16(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyXLZAKOYANNKEOZ-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.37
Rot. Bonds2

About 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol

1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol (PubChem CID 141237439) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
PubChem CID141237439
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(O[Si](C)(C)C)C2
InChIInChI=1S/C13H26O2Si/c1-11(2)10-7-8-12(11,3)13(14,9-10)15-16(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyXLZAKOYANNKEOZ-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol (CID 141237439) is 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)(O[Si](C)(C)C)C2.
What is the InChIKey of 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol?
The InChIKey is XLZAKOYANNKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(2)10-7-8-12(11,3)13(14,9-10)15-16(4,5)6/h10,14H,7-9H2,1-6H3.
What are the key properties of 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol?
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol has a molecular weight of 242.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 141237439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).