[2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane

C33H58O2Si2 — CID 71567820

IUPAC[2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
SMILESCC1=C(Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2O[Si](C)(C)C(C)(C)C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
InChIInChI=1S/C33H58O2Si2/c1-24-16-19-29-32(8,9)20-15-21-33(29,10)27(24)23-25-22-26(34-36(11,12)30(2,3)4)17-18-28(25)35-37(13,14)31(5,6)7/h17-18,22,29H,15-16,19-21,23H2,1-14H3/t29-,33+/m0/s1
InChIKeyZKOCHRAQQYXKLM-RYCFQHDISA-N
MW543.00 g/mol
LogP10.94
Rot. Bonds6

About [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane

[2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane (PubChem CID 71567820) has the molecular formula C33H58O2Si2 and a molecular weight of 543.00 g/mol. Its IUPAC name is [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
PubChem CID71567820
Molecular FormulaC33H58O2Si2
Molecular Weight543.00 g/mol
Exact Mass542.40
IUPAC Name[2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
SMILESCC1=C(Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2O[Si](C)(C)C(C)(C)C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
InChIInChI=1S/C33H58O2Si2/c1-24-16-19-29-32(8,9)20-15-21-33(29,10)27(24)23-25-22-26(34-36(11,12)30(2,3)4)17-18-28(25)35-37(13,14)31(5,6)7/h17-18,22,29H,15-16,19-21,23H2,1-14H3/t29-,33+/m0/s1
InChIKeyZKOCHRAQQYXKLM-RYCFQHDISA-N
XLogP10.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.00
LogP ≤ 510.94
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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Frequently Asked Questions

What is the IUPAC name of [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane (CID 71567820) is [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane is CC1=C(Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2O[Si](C)(C)C(C)(C)C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.
What is the InChIKey of [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
The InChIKey is ZKOCHRAQQYXKLM-RYCFQHDISA-N. The full InChI is InChI=1S/C33H58O2Si2/c1-24-16-19-29-32(8,9)20-15-21-33(29,10)27(24)23-25-22-26(34-36(11,12)30(2,3)4)17-18-28(25)35-37(13,14)31(5,6)7/h17-18,22,29H,15-16,19-21,23H2,1-14H3/t29-,33+/m0/s1.
What are the key properties of [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane?
[2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane has a molecular weight of 543.00 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 71567820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).