[3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane

C24H36O2Si — CID 11574544

IUPAC[3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H36O2Si/c1-24(2,3)27(5,6)26-21-9-7-8-18(15-21)23(25-4)22-19-11-16-10-17(13-19)14-20(22)12-16/h7-9,15-17,19-20H,10-14H2,1-6H3/b23-22-
InChIKeySVZAUCYKJSRIBY-FCQUAONHSA-N
MW384.64 g/mol
LogP6.88
Rot. Bonds4

About [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane

[3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane (PubChem CID 11574544) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane
PubChem CID11574544
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Name[3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H36O2Si/c1-24(2,3)27(5,6)26-21-9-7-8-18(15-21)23(25-4)22-19-11-16-10-17(13-19)14-20(22)12-16/h7-9,15-17,19-20H,10-14H2,1-6H3/b23-22-
InChIKeySVZAUCYKJSRIBY-FCQUAONHSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 56.88
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 [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane (CID 11574544) is [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane is COC(=C1C2CC3CC(C2)CC1C3)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is SVZAUCYKJSRIBY-FCQUAONHSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-24(2,3)27(5,6)26-21-9-7-8-18(15-21)23(25-4)22-19-11-16-10-17(13-19)14-20(22)12-16/h7-9,15-17,19-20H,10-14H2,1-6H3/b23-22-.
What are the key properties of [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane?
[3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 384.64 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-adamantylidene(methoxy)methyl]phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).