[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane

C36H66O2Si2 — CID 162943944

IUPAC[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane
SMILESCC1(C)CC[C@]2(CO[Si](C)(C)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]2C1
InChIInChI=1S/C36H66O2Si2/c1-31(2)20-22-36(25-37-39(8,9)10)23-21-34(6)26(27(36)24-31)14-15-29-33(5)18-17-30(38-40(11,12)13)32(3,4)28(33)16-19-35(29,34)7/h14,27-30H,15-25H2,1-13H3/t27-,28-,29+,30-,33-,34+,35+,36+/m0/s1
InChIKeyUUAGMUWFWZGYBW-DKXFVNHDSA-N
MW587.09 g/mol
LogP10.86
Rot. Bonds5

About [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane

[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane (PubChem CID 162943944) has the molecular formula C36H66O2Si2 and a molecular weight of 587.09 g/mol. Its IUPAC name is [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane
PubChem CID162943944
Molecular FormulaC36H66O2Si2
Molecular Weight587.09 g/mol
Exact Mass586.46
IUPAC Name[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane
SMILESCC1(C)CC[C@]2(CO[Si](C)(C)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]2C1
InChIInChI=1S/C36H66O2Si2/c1-31(2)20-22-36(25-37-39(8,9)10)23-21-34(6)26(27(36)24-31)14-15-29-33(5)18-17-30(38-40(11,12)13)32(3,4)28(33)16-19-35(29,34)7/h14,27-30H,15-25H2,1-13H3/t27-,28-,29+,30-,33-,34+,35+,36+/m0/s1
InChIKeyUUAGMUWFWZGYBW-DKXFVNHDSA-N
XLogP10.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.09
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane?
The IUPAC name of [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane (CID 162943944) is [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane.
What is the SMILES notation for [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane?
The canonical SMILES for [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane is CC1(C)CC[C@]2(CO[Si](C)(C)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]2C1.
What is the InChIKey of [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane?
The InChIKey is UUAGMUWFWZGYBW-DKXFVNHDSA-N. The full InChI is InChI=1S/C36H66O2Si2/c1-31(2)20-22-36(25-37-39(8,9)10)23-21-34(6)26(27(36)24-31)14-15-29-33(5)18-17-30(38-40(11,12)13)32(3,4)28(33)16-19-35(29,34)7/h14,27-30H,15-25H2,1-13H3/t27-,28-,29+,30-,33-,34+,35+,36+/m0/s1.
What are the key properties of [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane?
[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane has a molecular weight of 587.09 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy-trimethylsilane is sourced from PubChem (CID 162943944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).