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

C19H36OSi — CID 57097575

IUPAC[(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C
InChIInChI=1S/C19H36OSi/c1-14(2)15-11-12-16-17(10-9-13-19(15,16)6)20-21(7,8)18(3,4)5/h15-17H,1,9-13H2,2-8H3/t15-,16+,17+,19-/m0/s1
InChIKeyQYSMTSGDQWEEIF-FAJBIJEISA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds3

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

[(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 57097575) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID57097575
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C
InChIInChI=1S/C19H36OSi/c1-14(2)15-11-12-16-17(10-9-13-19(15,16)6)20-21(7,8)18(3,4)5/h15-17H,1,9-13H2,2-8H3/t15-,16+,17+,19-/m0/s1
InChIKeyQYSMTSGDQWEEIF-FAJBIJEISA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
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 [(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 57097575) is [(1S,3aS,4R,7aS)-7a-methyl-1-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 [(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3aS,4R,7aS)-7a-methyl-1-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@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C.
What is the InChIKey of [(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QYSMTSGDQWEEIF-FAJBIJEISA-N. The full InChI is InChI=1S/C19H36OSi/c1-14(2)15-11-12-16-17(10-9-13-19(15,16)6)20-21(7,8)18(3,4)5/h15-17H,1,9-13H2,2-8H3/t15-,16+,17+,19-/m0/s1.
What are the key properties of [(1S,3aS,4R,7aS)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(1S,3aS,4R,7aS)-7a-methyl-1-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 308.58 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,4R,7aS)-7a-methyl-1-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 57097575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).