[(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane

C17H32O2Si2 — CID 101108931

IUPAC[(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC[C@@]12CCC(O[Si](C)(C)C)=C[C@@H]1CCC=C2O[Si](C)(C)C
InChIInChI=1S/C17H32O2Si2/c1-17-12-11-15(18-20(2,3)4)13-14(17)9-8-10-16(17)19-21(5,6)7/h10,13-14H,8-9,11-12H2,1-7H3/t14-,17+/m0/s1
InChIKeyUEBQVMXBQMHFSQ-WMLDXEAASA-N
MW324.61 g/mol
LogP5.67
Rot. Bonds4

About [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane

[(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane (PubChem CID 101108931) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane
PubChem CID101108931
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name[(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC[C@@]12CCC(O[Si](C)(C)C)=C[C@@H]1CCC=C2O[Si](C)(C)C
InChIInChI=1S/C17H32O2Si2/c1-17-12-11-15(18-20(2,3)4)13-14(17)9-8-10-16(17)19-21(5,6)7/h10,13-14H,8-9,11-12H2,1-7H3/t14-,17+/m0/s1
InChIKeyUEBQVMXBQMHFSQ-WMLDXEAASA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.61
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane (CID 101108931) is [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane is C[C@@]12CCC(O[Si](C)(C)C)=C[C@@H]1CCC=C2O[Si](C)(C)C.
What is the InChIKey of [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane?
The InChIKey is UEBQVMXBQMHFSQ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-17-12-11-15(18-20(2,3)4)13-14(17)9-8-10-16(17)19-21(5,6)7/h10,13-14H,8-9,11-12H2,1-7H3/t14-,17+/m0/s1.
What are the key properties of [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane?
[(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane has a molecular weight of 324.61 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-4a-methyl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 101108931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).