1-(1-adamantyl)ethyl-trihydroxysilane

C12H22O3Si — CID 69077254

IUPAC1-(1-adamantyl)ethyl-trihydroxysilane
SMILESCC(C12CC3CC(CC(C3)C1)C2)[Si](O)(O)O
InChIInChI=1S/C12H22O3Si/c1-8(16(13,14)15)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-15H,2-7H2,1H3
InChIKeyJWHCNSWHDGSMIX-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.51
Rot. Bonds2

About 1-(1-adamantyl)ethyl-trihydroxysilane

1-(1-adamantyl)ethyl-trihydroxysilane (PubChem CID 69077254) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(1-adamantyl)ethyl-trihydroxysilane.

Molecular Properties

Compound Name1-(1-adamantyl)ethyl-trihydroxysilane
PubChem CID69077254
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name1-(1-adamantyl)ethyl-trihydroxysilane
SMILESCC(C12CC3CC(CC(C3)C1)C2)[Si](O)(O)O
InChIInChI=1S/C12H22O3Si/c1-8(16(13,14)15)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-15H,2-7H2,1H3
InChIKeyJWHCNSWHDGSMIX-UHFFFAOYSA-N
XLogP1.51
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
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-(1-adamantyl)ethyl-trihydroxysilane?
The IUPAC name of 1-(1-adamantyl)ethyl-trihydroxysilane (CID 69077254) is 1-(1-adamantyl)ethyl-trihydroxysilane.
What is the SMILES notation for 1-(1-adamantyl)ethyl-trihydroxysilane?
The canonical SMILES for 1-(1-adamantyl)ethyl-trihydroxysilane is CC(C12CC3CC(CC(C3)C1)C2)[Si](O)(O)O.
What is the InChIKey of 1-(1-adamantyl)ethyl-trihydroxysilane?
The InChIKey is JWHCNSWHDGSMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-8(16(13,14)15)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-15H,2-7H2,1H3.
What are the key properties of 1-(1-adamantyl)ethyl-trihydroxysilane?
1-(1-adamantyl)ethyl-trihydroxysilane has a molecular weight of 242.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)ethyl-trihydroxysilane is sourced from PubChem (CID 69077254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).