1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane

C16H32O3Si — CID 22673196

IUPAC1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)C12CCC(CC1)C2
InChIInChI=1S/C16H32O3Si/c1-12(2)17-20(18-13(3)4,19-14(5)6)16-9-7-15(11-16)8-10-16/h12-15H,7-11H2,1-6H3
InChIKeyXUUJNMQBVRZDMS-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.53
Rot. Bonds7

About 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane

1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane (PubChem CID 22673196) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane
PubChem CID22673196
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)C12CCC(CC1)C2
InChIInChI=1S/C16H32O3Si/c1-12(2)17-20(18-13(3)4,19-14(5)6)16-9-7-15(11-16)8-10-16/h12-15H,7-11H2,1-6H3
InChIKeyXUUJNMQBVRZDMS-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
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 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane (CID 22673196) is 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane is CC(C)O[Si](OC(C)C)(OC(C)C)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane?
The InChIKey is XUUJNMQBVRZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(2)17-20(18-13(3)4,19-14(5)6)16-9-7-15(11-16)8-10-16/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane?
1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane has a molecular weight of 300.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 22673196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).