[(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane

C33H58OSi — CID 162900555

IUPAC[(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane
SMILESC[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
InChIInChI=1S/C33H58OSi/c1-22-14-17-30(5)20-21-32(7)24(28(30)23(22)2)12-13-26-31(6)18-16-27(34-35(9,10)11)29(3,4)25(31)15-19-33(26,32)8/h12,22-23,25-28H,13-21H2,1-11H3/t22-,23+,25+,26-,27-,28+,30-,31+,32-,33-/m1/s1
InChIKeyWTQGCUIIGTXDIX-CATJIULFSA-N
MW498.91 g/mol
LogP9.88
Rot. Bonds2

About [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane

[(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane (PubChem CID 162900555) has the molecular formula C33H58OSi and a molecular weight of 498.91 g/mol. Its IUPAC name is [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane
PubChem CID162900555
Molecular FormulaC33H58OSi
Molecular Weight498.91 g/mol
Exact Mass498.43
IUPAC Name[(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane
SMILESC[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
InChIInChI=1S/C33H58OSi/c1-22-14-17-30(5)20-21-32(7)24(28(30)23(22)2)12-13-26-31(6)18-16-27(34-35(9,10)11)29(3,4)25(31)15-19-33(26,32)8/h12,22-23,25-28H,13-21H2,1-11H3/t22-,23+,25+,26-,27-,28+,30-,31+,32-,33-/m1/s1
InChIKeyWTQGCUIIGTXDIX-CATJIULFSA-N
XLogP9.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.91
LogP ≤ 59.88
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 [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane (CID 162900555) is [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane is C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12.
What is the InChIKey of [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane?
The InChIKey is WTQGCUIIGTXDIX-CATJIULFSA-N. The full InChI is InChI=1S/C33H58OSi/c1-22-14-17-30(5)20-21-32(7)24(28(30)23(22)2)12-13-26-31(6)18-16-27(34-35(9,10)11)29(3,4)25(31)15-19-33(26,32)8/h12,22-23,25-28H,13-21H2,1-11H3/t22-,23+,25+,26-,27-,28+,30-,31+,32-,33-/m1/s1.
What are the key properties of [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane?
[(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane has a molecular weight of 498.91 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 162900555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).