[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

C21H38OSi — CID 134865706

IUPAC[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC[C@H]2C(C)=CCC(C(C)C)C2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38OSi/c1-14(2)17-12-10-15(3)18-13-11-16(4)20(19(17)18)22-23(8,9)21(5,6)7/h10-11,14,17-20H,12-13H2,1-9H3/t17?,18-,19?,20+/m0/s1
InChIKeyCEKNXWXTVUJVND-ZUPWUQBJSA-N
MW334.62 g/mol
LogP6.58
Rot. Bonds3

About [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134865706) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134865706
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC[C@H]2C(C)=CCC(C(C)C)C2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38OSi/c1-14(2)17-12-10-15(3)18-13-11-16(4)20(19(17)18)22-23(8,9)21(5,6)7/h10-11,14,17-20H,12-13H2,1-9H3/t17?,18-,19?,20+/m0/s1
InChIKeyCEKNXWXTVUJVND-ZUPWUQBJSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
Tert-butyl-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
Tert-butyl-(4-decyl-2-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 134905111
tert-butyl-[(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-yl]oxy-dimethylsilane
CID 134983137
trimethyl-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxysilane
CID 135037726
Tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 135070894
tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
CID 146167066
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625
tert-butyl-dimethyl-[(1S,4R)-3,4,5,5-tetramethylcyclohex-2-en-1-yl]oxysilane
CID 58913831
tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane
CID 58924673

Frequently Asked Questions

What is the IUPAC name of [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 134865706) is [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is CC1=CC[C@H]2C(C)=CCC(C(C)C)C2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CEKNXWXTVUJVND-ZUPWUQBJSA-N. The full InChI is InChI=1S/C21H38OSi/c1-14(2)17-12-10-15(3)18-13-11-16(4)20(19(17)18)22-23(8,9)21(5,6)7/h10-11,14,17-20H,12-13H2,1-9H3/t17?,18-,19?,20+/m0/s1.
What are the key properties of [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134865706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).