[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane

C22H42OSi — CID 11046358

IUPAC[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(CO[Si](C)(C)C(C)(C)C)C[C@@H]21
InChIInChI=1S/C22H42OSi/c1-16(2)18-11-10-17(3)19-12-13-22(7,14-20(18)19)15-23-24(8,9)21(4,5)6/h12,16-18,20H,10-11,13-15H2,1-9H3/t17-,18-,20-,22+/m1/s1
InChIKeyFFAHHURHJQZOFQ-DBQGFPOUSA-N
MW350.66 g/mol
LogP7.05
Rot. Bonds4

About [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11046358) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11046358
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(CO[Si](C)(C)C(C)(C)C)C[C@@H]21
InChIInChI=1S/C22H42OSi/c1-16(2)18-11-10-17(3)19-12-13-22(7,14-20(18)19)15-23-24(8,9)21(4,5)6/h12,16-18,20H,10-11,13-15H2,1-9H3/t17-,18-,20-,22+/m1/s1
InChIKeyFFAHHURHJQZOFQ-DBQGFPOUSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.05
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 [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11046358) is [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(CO[Si](C)(C)C(C)(C)C)C[C@@H]21.
What is the InChIKey of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FFAHHURHJQZOFQ-DBQGFPOUSA-N. The full InChI is InChI=1S/C22H42OSi/c1-16(2)18-11-10-17(3)19-12-13-22(7,14-20(18)19)15-23-24(8,9)21(4,5)6/h12,16-18,20H,10-11,13-15H2,1-9H3/t17-,18-,20-,22+/m1/s1.
What are the key properties of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 350.66 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11046358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).