[(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane

C19H34OSi — CID 11623698

IUPAC[(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane
SMILESC=C[C@@H]1CC[C@@]2(C)C1=C(O[Si](CC)(CC)CC)CC[C@@H]2C
InChIInChI=1S/C19H34OSi/c1-7-16-13-14-19(6)15(5)11-12-17(18(16)19)20-21(8-2,9-3)10-4/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,19+/m0/s1
InChIKeyRGXUUCWQZQCAKE-FRQCXROJSA-N
MW306.57 g/mol
LogP6.29
Rot. Bonds6

About [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane

[(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane (PubChem CID 11623698) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane
PubChem CID11623698
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name[(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane
SMILESC=C[C@@H]1CC[C@@]2(C)C1=C(O[Si](CC)(CC)CC)CC[C@@H]2C
InChIInChI=1S/C19H34OSi/c1-7-16-13-14-19(6)15(5)11-12-17(18(16)19)20-21(8-2,9-3)10-4/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,19+/m0/s1
InChIKeyRGXUUCWQZQCAKE-FRQCXROJSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.29
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 [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane?
The IUPAC name of [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane (CID 11623698) is [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane?
The canonical SMILES for [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane is C=C[C@@H]1CC[C@@]2(C)C1=C(O[Si](CC)(CC)CC)CC[C@@H]2C.
What is the InChIKey of [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane?
The InChIKey is RGXUUCWQZQCAKE-FRQCXROJSA-N. The full InChI is InChI=1S/C19H34OSi/c1-7-16-13-14-19(6)15(5)11-12-17(18(16)19)20-21(8-2,9-3)10-4/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,19+/m0/s1.
What are the key properties of [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane?
[(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane has a molecular weight of 306.57 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane is sourced from PubChem (CID 11623698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).