[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane

C38H42O2Si — CID 22163045

IUPAC[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc2cc(COC=C3C4CC5CC(C4)CC3C5)ccc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H42O2Si/c1-38(2,3)41(35-10-6-4-7-11-35,36-12-8-5-9-13-36)40-34-17-16-30-19-27(14-15-31(30)24-34)25-39-26-37-32-20-28-18-29(22-32)23-33(37)21-28/h4-17,19,24,26,28-29,32-33H,18,20-23,25H2,1-3H3/b37-26-
InChIKeyIWSIADIBXHIDQF-UOZKZNBHSA-N
MW558.84 g/mol
LogP8.64
Rot. Bonds7

About [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane

[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 22163045) has the molecular formula C38H42O2Si and a molecular weight of 558.84 g/mol. Its IUPAC name is [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane
PubChem CID22163045
Molecular FormulaC38H42O2Si
Molecular Weight558.84 g/mol
Exact Mass558.30
IUPAC Name[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc2cc(COC=C3C4CC5CC(C4)CC3C5)ccc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H42O2Si/c1-38(2,3)41(35-10-6-4-7-11-35,36-12-8-5-9-13-36)40-34-17-16-30-19-27(14-15-31(30)24-34)25-39-26-37-32-20-28-18-29(22-32)23-33(37)21-28/h4-17,19,24,26,28-29,32-33H,18,20-23,25H2,1-3H3/b37-26-
InChIKeyIWSIADIBXHIDQF-UOZKZNBHSA-N
XLogP8.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.84
LogP ≤ 58.64
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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Related Compounds

methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
CID 11700207
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
CID 86757468
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647
[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 140673781
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane
CID 134941081
methyl 2-[3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]acetate
CID 57443556

Frequently Asked Questions

What is the IUPAC name of [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane (CID 22163045) is [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1ccc2cc(COC=C3C4CC5CC(C4)CC3C5)ccc2c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is IWSIADIBXHIDQF-UOZKZNBHSA-N. The full InChI is InChI=1S/C38H42O2Si/c1-38(2,3)41(35-10-6-4-7-11-35,36-12-8-5-9-13-36)40-34-17-16-30-19-27(14-15-31(30)24-34)25-39-26-37-32-20-28-18-29(22-32)23-33(37)21-28/h4-17,19,24,26,28-29,32-33H,18,20-23,25H2,1-3H3/b37-26-.
What are the key properties of [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane?
[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 558.84 g/mol, XLogP of 8.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 22163045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).