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

C17H32Si — CID 11492672

IUPAC[(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane
SMILESCC(C)[C@H]1CC2=CCCC[C@@]2(C)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C17H32Si/c1-13(2)14-11-15-9-7-8-10-17(15,3)16(12-14)18(4,5)6/h9,13-14,16H,7-8,10-12H2,1-6H3/t14-,16+,17+/m0/s1
InChIKeyNQVVVRJZOYWJJT-USXIJHARSA-N
MW264.53 g/mol
LogP5.88
Rot. Bonds2

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

[(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane (PubChem CID 11492672) has the molecular formula C17H32Si and a molecular weight of 264.53 g/mol. Its IUPAC name is [(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane
PubChem CID11492672
Molecular FormulaC17H32Si
Molecular Weight264.53 g/mol
Exact Mass264.23
IUPAC Name[(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane
SMILESCC(C)[C@H]1CC2=CCCC[C@@]2(C)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C17H32Si/c1-13(2)14-11-15-9-7-8-10-17(15,3)16(12-14)18(4,5)6/h9,13-14,16H,7-8,10-12H2,1-6H3/t14-,16+,17+/m0/s1
InChIKeyNQVVVRJZOYWJJT-USXIJHARSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.53
LogP ≤ 55.88
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)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
The IUPAC name of [(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane (CID 11492672) is [(1R,3S,8aR)-8a-methyl-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)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
The canonical SMILES for [(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane is CC(C)[C@H]1CC2=CCCC[C@@]2(C)[C@H]([Si](C)(C)C)C1.
What is the InChIKey of [(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
The InChIKey is NQVVVRJZOYWJJT-USXIJHARSA-N. The full InChI is InChI=1S/C17H32Si/c1-13(2)14-11-15-9-7-8-10-17(15,3)16(12-14)18(4,5)6/h9,13-14,16H,7-8,10-12H2,1-6H3/t14-,16+,17+/m0/s1.
What are the key properties of [(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane?
[(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane has a molecular weight of 264.53 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,8aR)-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 11492672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).