3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol

C20H34O3Si — CID 67590412

IUPAC3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol
SMILESCO/C(=C(\CO[Si](C)(C)C(C)(C)C)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C20H34O3Si/c1-19(2,3)17(14-23-24(8,9)20(4,5)6)18(22-7)15-11-10-12-16(21)13-15/h10-13,21H,14H2,1-9H3/b18-17+
InChIKeyVFABUYKVPCCJGV-ISLYRVAYSA-N
MW350.58 g/mol
LogP5.82
Rot. Bonds5

About 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol

3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol (PubChem CID 67590412) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol
PubChem CID67590412
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol
SMILESCO/C(=C(\CO[Si](C)(C)C(C)(C)C)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C20H34O3Si/c1-19(2,3)17(14-23-24(8,9)20(4,5)6)18(22-7)15-11-10-12-16(21)13-15/h10-13,21H,14H2,1-9H3/b18-17+
InChIKeyVFABUYKVPCCJGV-ISLYRVAYSA-N
XLogP5.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol?
The IUPAC name of 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol (CID 67590412) is 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol.
What is the SMILES notation for 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol?
The canonical SMILES for 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol is CO/C(=C(\CO[Si](C)(C)C(C)(C)C)C(C)(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol?
The InChIKey is VFABUYKVPCCJGV-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-19(2,3)17(14-23-24(8,9)20(4,5)6)18(22-7)15-11-10-12-16(21)13-15/h10-13,21H,14H2,1-9H3/b18-17+.
What are the key properties of 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol?
3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol has a molecular weight of 350.58 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,3-dimethylbut-1-enyl]phenol is sourced from PubChem (CID 67590412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).