[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol

C33H43NO4Si — CID 11180333

IUPAC[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol
SMILESC=CCN1CCc2cc(OC)c(OC)cc2C1(CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H43NO4Si/c1-7-20-34-21-18-26-23-30(36-5)31(37-6)24-29(26)33(34,25-35)19-22-38-39(32(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h7-17,23-24,35H,1,18-22,25H2,2-6H3
InChIKeyBZZWWRVJFCLYBI-UHFFFAOYSA-N
MW545.80 g/mol
LogP4.90
Rot. Bonds11

About [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol

[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol (PubChem CID 11180333) has the molecular formula C33H43NO4Si and a molecular weight of 545.80 g/mol. Its IUPAC name is [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol
PubChem CID11180333
Molecular FormulaC33H43NO4Si
Molecular Weight545.80 g/mol
Exact Mass545.30
IUPAC Name[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol
SMILESC=CCN1CCc2cc(OC)c(OC)cc2C1(CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H43NO4Si/c1-7-20-34-21-18-26-23-30(36-5)31(37-6)24-29(26)33(34,25-35)19-22-38-39(32(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h7-17,23-24,35H,1,18-22,25H2,2-6H3
InChIKeyBZZWWRVJFCLYBI-UHFFFAOYSA-N
XLogP4.90
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane
CID 102031153
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole
CID 67861334
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol (CID 11180333) is [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol is C=CCN1CCc2cc(OC)c(OC)cc2C1(CO)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol?
The InChIKey is BZZWWRVJFCLYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO4Si/c1-7-20-34-21-18-26-23-30(36-5)31(37-6)24-29(26)33(34,25-35)19-22-38-39(32(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h7-17,23-24,35H,1,18-22,25H2,2-6H3.
What are the key properties of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol?
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol has a molecular weight of 545.80 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-yl]methanol is sourced from PubChem (CID 11180333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).