1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane

C18H32O2Si — CID 102356496

IUPAC1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(OC12CC3CC(CC(C3)C1)C2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-13(20-21(5,6)17(2,3)4)19-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1,7-12H2,2-6H3
InChIKeyOARLVVWPNVYBRQ-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.46
Rot. Bonds4

About 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane

1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane (PubChem CID 102356496) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane
PubChem CID102356496
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(OC12CC3CC(CC(C3)C1)C2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-13(20-21(5,6)17(2,3)4)19-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1,7-12H2,2-6H3
InChIKeyOARLVVWPNVYBRQ-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane (CID 102356496) is 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane is C=C(OC12CC3CC(CC(C3)C1)C2)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane?
The InChIKey is OARLVVWPNVYBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-13(20-21(5,6)17(2,3)4)19-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1,7-12H2,2-6H3.
What are the key properties of 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane?
1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyloxy)ethenoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102356496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).