(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one

C15H28O3Si — CID 10934984

IUPAC(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
SMILESCO[C@@H]1C[C@H](O[Si](C)(C)C)[C@@]2(C)CCCC[C@@H]2C1=O
InChIInChI=1S/C15H28O3Si/c1-15-9-7-6-8-11(15)14(16)12(17-2)10-13(15)18-19(3,4)5/h11-13H,6-10H2,1-5H3/t11-,12-,13+,15+/m1/s1
InChIKeyFVSKRSPDUAVMKC-CXTNEJHOSA-N
MW284.47 g/mol
LogP3.39
Rot. Bonds3

About (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one

(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one (PubChem CID 10934984) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one.

Molecular Properties

Compound Name(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
PubChem CID10934984
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
SMILESCO[C@@H]1C[C@H](O[Si](C)(C)C)[C@@]2(C)CCCC[C@@H]2C1=O
InChIInChI=1S/C15H28O3Si/c1-15-9-7-6-8-11(15)14(16)12(17-2)10-13(15)18-19(3,4)5/h11-13H,6-10H2,1-5H3/t11-,12-,13+,15+/m1/s1
InChIKeyFVSKRSPDUAVMKC-CXTNEJHOSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
The IUPAC name of (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one (CID 10934984) is (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one.
What is the SMILES notation for (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
The canonical SMILES for (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one is CO[C@@H]1C[C@H](O[Si](C)(C)C)[C@@]2(C)CCCC[C@@H]2C1=O.
What is the InChIKey of (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
The InChIKey is FVSKRSPDUAVMKC-CXTNEJHOSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15-9-7-6-8-11(15)14(16)12(17-2)10-13(15)18-19(3,4)5/h11-13H,6-10H2,1-5H3/t11-,12-,13+,15+/m1/s1.
What are the key properties of (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one has a molecular weight of 284.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one is sourced from PubChem (CID 10934984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).