2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane

C24H48O2Si2 — CID 11122755

IUPAC2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC[C@]2(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C)=CC[C@@H]12
InChIInChI=1S/C24H48O2Si2/c1-22(2,3)28(10,11)25-18-15-19-20(26-27(7,8)9)13-14-21-23(4,5)16-12-17-24(19,21)6/h13,19,21H,12,14-18H2,1-11H3/t19-,21-,24+/m0/s1
InChIKeyRINMUYLMLJMZPS-ZCVJKFOLSA-N
MW424.82 g/mol
LogP7.99
Rot. Bonds6

About 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane

2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 11122755) has the molecular formula C24H48O2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID11122755
Molecular FormulaC24H48O2Si2
Molecular Weight424.82 g/mol
Exact Mass424.32
IUPAC Name2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC[C@]2(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C)=CC[C@@H]12
InChIInChI=1S/C24H48O2Si2/c1-22(2,3)28(10,11)25-18-15-19-20(26-27(7,8)9)13-14-21-23(4,5)16-12-17-24(19,21)6/h13,19,21H,12,14-18H2,1-11H3/t19-,21-,24+/m0/s1
InChIKeyRINMUYLMLJMZPS-ZCVJKFOLSA-N
XLogP7.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 57.99
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 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane (CID 11122755) is 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane is CC1(C)CCC[C@]2(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C)=CC[C@@H]12.
What is the InChIKey of 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is RINMUYLMLJMZPS-ZCVJKFOLSA-N. The full InChI is InChI=1S/C24H48O2Si2/c1-22(2,3)28(10,11)25-18-15-19-20(26-27(7,8)9)13-14-21-23(4,5)16-12-17-24(19,21)6/h13,19,21H,12,14-18H2,1-11H3/t19-,21-,24+/m0/s1.
What are the key properties of 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 424.82 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-trimethylsilyloxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11122755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).