[(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C28H54O5Si2 — CID 10414550

IUPAC[(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCCOCOC1CCC[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C=CC12/C=C\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H54O5Si2/c1-26(2,3)34(8,9)32-18-17-28-16-15-24(33-35(10,11)27(4,5)6)21-23(28)13-12-14-25(28)31-22-30-20-19-29-7/h15-18,23-25H,12-14,19-22H2,1-11H3/b18-17-/t23-,24-,25?,28?/m1/s1
InChIKeyOEJPKVCRCMWBBP-MEMCABONSA-N
MW526.91 g/mol
LogP7.66
Rot. Bonds11

About [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10414550) has the molecular formula C28H54O5Si2 and a molecular weight of 526.91 g/mol. Its IUPAC name is [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10414550
Molecular FormulaC28H54O5Si2
Molecular Weight526.91 g/mol
Exact Mass526.35
IUPAC Name[(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCCOCOC1CCC[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C=CC12/C=C\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H54O5Si2/c1-26(2,3)34(8,9)32-18-17-28-16-15-24(33-35(10,11)27(4,5)6)21-23(28)13-12-14-25(28)31-22-30-20-19-29-7/h15-18,23-25H,12-14,19-22H2,1-11H3/b18-17-/t23-,24-,25?,28?/m1/s1
InChIKeyOEJPKVCRCMWBBP-MEMCABONSA-N
XLogP7.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.91
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-2-[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1-(methoxymethoxy)ethyl]-2,6,6-trimethylcyclohex-2-en-1-ol
CID 10865340
[(3aS,4S,6R,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-7a-methyl-1,3a,4,5,6,7-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 24939034
tert-butyl-[[(4R,5S,8S)-4-[[(1S,2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidene-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]-6,6,10-trimethyl-1,3-dioxaspiro[4.5]dec-9-en-8-yl]oxy]-dimethylsilane
CID 134937058
[(2S,4aS,5R,8aR)-5-(2-methoxyethoxymethoxy)-4a-prop-2-enyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 10386894
(Z)-2-[(4R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]ethenol
CID 9979085
2-[(4R,4aS,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]acetaldehyde
CID 10047327
3-[(4R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]propane-1,2-diol
CID 10095013
[(4R,4aS,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-yl]methanol
CID 10318823
[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
CID 11001886
[(4R,4'aR,5R,8'aS)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
CID 11336305
(1'S,4'aS,8'aS)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-6,7,8,8a-tetrahydro-2H-naphthalene]-2'-ol
CID 11407999
[(Z,1S)-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-5-(2-methoxyethoxymethoxy)-3-methylpent-3-enoxy]-tert-butyl-dimethylsilane
CID 21600715

Frequently Asked Questions

What is the IUPAC name of [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 10414550) is [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is COCCOCOC1CCC[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C=CC12/C=C\O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OEJPKVCRCMWBBP-MEMCABONSA-N. The full InChI is InChI=1S/C28H54O5Si2/c1-26(2,3)34(8,9)32-18-17-28-16-15-24(33-35(10,11)27(4,5)6)21-23(28)13-12-14-25(28)31-22-30-20-19-29-7/h15-18,23-25H,12-14,19-22H2,1-11H3/b18-17-/t23-,24-,25?,28?/m1/s1.
What are the key properties of [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 526.91 g/mol, XLogP of 7.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8aR)-4a-[(Z)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-(2-methoxyethoxymethoxy)-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10414550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).