[(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane

C16H28OSi — CID 14759139

IUPAC[(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
SMILESCC1(C)CCC[C@]2(C)C=CC=C(O[Si](C)(C)C)[C@@H]12
InChIInChI=1S/C16H28OSi/c1-15(2)10-8-12-16(3)11-7-9-13(14(15)16)17-18(4,5)6/h7,9,11,14H,8,10,12H2,1-6H3/t14-,16-/m0/s1
InChIKeyFYAZZAPDRBMCBT-HOCLYGCPSA-N
MW264.49 g/mol
LogP5.12
Rot. Bonds2

About [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane

[(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane (PubChem CID 14759139) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
PubChem CID14759139
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Name[(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
SMILESCC1(C)CCC[C@]2(C)C=CC=C(O[Si](C)(C)C)[C@@H]12
InChIInChI=1S/C16H28OSi/c1-15(2)10-8-12-16(3)11-7-9-13(14(15)16)17-18(4,5)6/h7,9,11,14H,8,10,12H2,1-6H3/t14-,16-/m0/s1
InChIKeyFYAZZAPDRBMCBT-HOCLYGCPSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane (CID 14759139) is [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane is CC1(C)CCC[C@]2(C)C=CC=C(O[Si](C)(C)C)[C@@H]12.
What is the InChIKey of [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
The InChIKey is FYAZZAPDRBMCBT-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H28OSi/c1-15(2)10-8-12-16(3)11-7-9-13(14(15)16)17-18(4,5)6/h7,9,11,14H,8,10,12H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane?
[(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane has a molecular weight of 264.49 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 14759139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).