1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol

C22H38O6Si — CID 154630127

IUPAC1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1c(OCOC)ccc(C(C)O[Si](C)(C)C(C)(C)C)c1OCOC
InChIInChI=1S/C22H38O6Si/c1-15(2)20(23)19-18(26-13-24-7)12-11-17(21(19)27-14-25-8)16(3)28-29(9,10)22(4,5)6/h11-12,16,20,23H,1,13-14H2,2-10H3
InChIKeyIIFBSDBVTGFZSL-UHFFFAOYSA-N
MW426.63 g/mol
LogP5.34
Rot. Bonds11

About 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol

1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol (PubChem CID 154630127) has the molecular formula C22H38O6Si and a molecular weight of 426.63 g/mol. Its IUPAC name is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol
PubChem CID154630127
Molecular FormulaC22H38O6Si
Molecular Weight426.63 g/mol
Exact Mass426.24
IUPAC Name1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1c(OCOC)ccc(C(C)O[Si](C)(C)C(C)(C)C)c1OCOC
InChIInChI=1S/C22H38O6Si/c1-15(2)20(23)19-18(26-13-24-7)12-11-17(21(19)27-14-25-8)16(3)28-29(9,10)22(4,5)6/h11-12,16,20,23H,1,13-14H2,2-10H3
InChIKeyIIFBSDBVTGFZSL-UHFFFAOYSA-N
XLogP5.34
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol (CID 154630127) is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol is C=C(C)C(O)c1c(OCOC)ccc(C(C)O[Si](C)(C)C(C)(C)C)c1OCOC.
What is the InChIKey of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?
The InChIKey is IIFBSDBVTGFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O6Si/c1-15(2)20(23)19-18(26-13-24-7)12-11-17(21(19)27-14-25-8)16(3)28-29(9,10)22(4,5)6/h11-12,16,20,23H,1,13-14H2,2-10H3.
What are the key properties of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?
1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol has a molecular weight of 426.63 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 154630127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).