[(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane

C18H34Si — CID 11529224

IUPAC[(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane
SMILESCC1=C2C[C@H](C(C)C)C[C@@H]([Si](C)(C)C)[C@]2(C)CCC1
InChIInChI=1S/C18H34Si/c1-13(2)15-11-16-14(3)9-8-10-18(16,4)17(12-15)19(5,6)7/h13,15,17H,8-12H2,1-7H3/t15-,17+,18+/m0/s1
InChIKeyKJFWZZSJBNMNQY-CGTJXYLNSA-N
MW278.56 g/mol
LogP6.27
Rot. Bonds2

About [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane

[(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane (PubChem CID 11529224) has the molecular formula C18H34Si and a molecular weight of 278.56 g/mol. Its IUPAC name is [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane
PubChem CID11529224
Molecular FormulaC18H34Si
Molecular Weight278.56 g/mol
Exact Mass278.24
IUPAC Name[(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane
SMILESCC1=C2C[C@H](C(C)C)C[C@@H]([Si](C)(C)C)[C@]2(C)CCC1
InChIInChI=1S/C18H34Si/c1-13(2)15-11-16-14(3)9-8-10-18(16,4)17(12-15)19(5,6)7/h13,15,17H,8-12H2,1-7H3/t15-,17+,18+/m0/s1
InChIKeyKJFWZZSJBNMNQY-CGTJXYLNSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.56
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
The IUPAC name of [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane (CID 11529224) is [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane.
What is the SMILES notation for [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
The canonical SMILES for [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane is CC1=C2C[C@H](C(C)C)C[C@@H]([Si](C)(C)C)[C@]2(C)CCC1.
What is the InChIKey of [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
The InChIKey is KJFWZZSJBNMNQY-CGTJXYLNSA-N. The full InChI is InChI=1S/C18H34Si/c1-13(2)15-11-16-14(3)9-8-10-18(16,4)17(12-15)19(5,6)7/h13,15,17H,8-12H2,1-7H3/t15-,17+,18+/m0/s1.
What are the key properties of [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
[(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane has a molecular weight of 278.56 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,8aR)-5,8a-dimethyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 11529224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).