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

C18H34OSi — CID 59274935

IUPAC[(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@@]12CCCC1[C@@H](O[Si](C)(C)C(C)(C)C)CCC2
InChIInChI=1S/C18H34OSi/c1-14(2)18-12-8-10-15(18)16(11-9-13-18)19-20(6,7)17(3,4)5/h15-16H,1,8-13H2,2-7H3/t15?,16-,18-/m0/s1
InChIKeyXKHLPNMDCNJSOT-YLGOGADGSA-N
MW294.56 g/mol
LogP5.92
Rot. Bonds3

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

[(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 59274935) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID59274935
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@@]12CCCC1[C@@H](O[Si](C)(C)C(C)(C)C)CCC2
InChIInChI=1S/C18H34OSi/c1-14(2)18-12-8-10-15(18)16(11-9-13-18)19-20(6,7)17(3,4)5/h15-16H,1,8-13H2,2-7H3/t15?,16-,18-/m0/s1
InChIKeyXKHLPNMDCNJSOT-YLGOGADGSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.92
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 [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 59274935) is [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is C=C(C)[C@@]12CCCC1[C@@H](O[Si](C)(C)C(C)(C)C)CCC2.
What is the InChIKey of [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XKHLPNMDCNJSOT-YLGOGADGSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14(2)18-12-8-10-15(18)16(11-9-13-18)19-20(6,7)17(3,4)5/h15-16H,1,8-13H2,2-7H3/t15?,16-,18-/m0/s1.
What are the key properties of [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59274935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).