2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C16H32O3Si — CID 141012812

IUPAC2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCO[Si](CC(C)C)(OC)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H32O3Si/c1-12(2)11-20(18-6,19-7)16(17)10-13-8-9-15(16,5)14(13,3)4/h12-13,17H,8-11H2,1-7H3
InChIKeyRFWPWQLZELTLIK-UHFFFAOYSA-N
MW300.51 g/mol
LogP3.49
Rot. Bonds5

About 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 141012812) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID141012812
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCO[Si](CC(C)C)(OC)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H32O3Si/c1-12(2)11-20(18-6,19-7)16(17)10-13-8-9-15(16,5)14(13,3)4/h12-13,17H,8-11H2,1-7H3
InChIKeyRFWPWQLZELTLIK-UHFFFAOYSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 141012812) is 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CO[Si](CC(C)C)(OC)C1(O)CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is RFWPWQLZELTLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(2)11-20(18-6,19-7)16(17)10-13-8-9-15(16,5)14(13,3)4/h12-13,17H,8-11H2,1-7H3.
What are the key properties of 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 300.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxy(2-methylpropyl)silyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 141012812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).