1-adamantyl-diethyl-methoxysilane

C15H28OSi — CID 69273631

IUPAC1-adamantyl-diethyl-methoxysilane
SMILESCC[Si](CC)(OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,16-3)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,4-11H2,1-3H3
InChIKeyKOBBEWWGMCYOKW-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.59
Rot. Bonds4

About 1-adamantyl-diethyl-methoxysilane

1-adamantyl-diethyl-methoxysilane (PubChem CID 69273631) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-adamantyl-diethyl-methoxysilane.

Molecular Properties

Compound Name1-adamantyl-diethyl-methoxysilane
PubChem CID69273631
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-adamantyl-diethyl-methoxysilane
SMILESCC[Si](CC)(OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H28OSi/c1-4-17(5-2,16-3)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,4-11H2,1-3H3
InChIKeyKOBBEWWGMCYOKW-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-adamantyl-diethyl-methoxysilane?
The IUPAC name of 1-adamantyl-diethyl-methoxysilane (CID 69273631) is 1-adamantyl-diethyl-methoxysilane.
What is the SMILES notation for 1-adamantyl-diethyl-methoxysilane?
The canonical SMILES for 1-adamantyl-diethyl-methoxysilane is CC[Si](CC)(OC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-diethyl-methoxysilane?
The InChIKey is KOBBEWWGMCYOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-4-17(5-2,16-3)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-adamantyl-diethyl-methoxysilane?
1-adamantyl-diethyl-methoxysilane has a molecular weight of 252.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-diethyl-methoxysilane is sourced from PubChem (CID 69273631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).