[(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C22H42OSi — CID 174105724

IUPAC[(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCCC(C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C22H42OSi/c1-9-10-12-17(2)18-14-15-19-20(13-11-16-22(18,19)6)23-24(7,8)21(3,4)5/h9,17-20H,1,10-16H2,2-8H3/t17?,18-,19+,20+,22-/m1/s1
InChIKeyXSGJZPWEOWOTNR-IAKKCXOHSA-N
MW350.66 g/mol
LogP7.20
Rot. Bonds6

About [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 174105724) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID174105724
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name[(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCCC(C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C22H42OSi/c1-9-10-12-17(2)18-14-15-19-20(13-11-16-22(18,19)6)23-24(7,8)21(3,4)5/h9,17-20H,1,10-16H2,2-8H3/t17?,18-,19+,20+,22-/m1/s1
InChIKeyXSGJZPWEOWOTNR-IAKKCXOHSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.20
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 174105724) is [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is C=CCCC(C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.
What is the InChIKey of [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XSGJZPWEOWOTNR-IAKKCXOHSA-N. The full InChI is InChI=1S/C22H42OSi/c1-9-10-12-17(2)18-14-15-19-20(13-11-16-22(18,19)6)23-24(7,8)21(3,4)5/h9,17-20H,1,10-16H2,2-8H3/t17?,18-,19+,20+,22-/m1/s1.
What are the key properties of [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 350.66 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,4S,7aR)-1-hex-5-en-2-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174105724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).