[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

C24H44O2Si2 — CID 135002588

IUPAC[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CCC[C@]2(CO[Si](C)(C)C(C)(C)C)C=CC=C[C@H]12
InChIInChI=1S/C24H44O2Si2/c1-22(2,3)27(7,8)25-18-20-14-13-17-24(16-12-11-15-21(20)24)19-26-28(9,10)23(4,5)6/h11-12,14-16,21H,13,17-19H2,1-10H3/t21-,24+/m1/s1
InChIKeyHSWXUEHISSOUPV-QPPBQGQZSA-N
MW420.79 g/mol
LogP7.48
Rot. Bonds6

About [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 135002588) has the molecular formula C24H44O2Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID135002588
Molecular FormulaC24H44O2Si2
Molecular Weight420.79 g/mol
Exact Mass420.29
IUPAC Name[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CCC[C@]2(CO[Si](C)(C)C(C)(C)C)C=CC=C[C@H]12
InChIInChI=1S/C24H44O2Si2/c1-22(2,3)27(7,8)25-18-20-14-13-17-24(16-12-11-15-21(20)24)19-26-28(9,10)23(4,5)6/h11-12,14-16,21H,13,17-19H2,1-10H3/t21-,24+/m1/s1
InChIKeyHSWXUEHISSOUPV-QPPBQGQZSA-N
XLogP7.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[2,2-Di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
CID 18622708
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968519
[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 150996593
[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11186295
[(1R,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 101736809

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (CID 135002588) is [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=CCC[C@]2(CO[Si](C)(C)C(C)(C)C)C=CC=C[C@H]12.
What is the InChIKey of [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is HSWXUEHISSOUPV-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H44O2Si2/c1-22(2,3)27(7,8)25-18-20-14-13-17-24(16-12-11-15-21(20)24)19-26-28(9,10)23(4,5)6/h11-12,14-16,21H,13,17-19H2,1-10H3/t21-,24+/m1/s1.
What are the key properties of [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 420.79 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135002588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).