[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane

C18H36OSi — CID 134922499

IUPAC[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCCCC[C@H]1CC[C@@H](C(C)(C)C)C(O[Si](C)(C)C)=C1C
InChIInChI=1S/C18H36OSi/c1-9-10-11-15-12-13-16(18(3,4)5)17(14(15)2)19-20(6,7)8/h15-16H,9-13H2,1-8H3/t15-,16+/m0/s1
InChIKeyAYGSSKXICQJJII-JKSUJKDBSA-N
MW296.57 g/mol
LogP6.37
Rot. Bonds5

About [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane

[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134922499) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134922499
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCCCC[C@H]1CC[C@@H](C(C)(C)C)C(O[Si](C)(C)C)=C1C
InChIInChI=1S/C18H36OSi/c1-9-10-11-15-12-13-16(18(3,4)5)17(14(15)2)19-20(6,7)8/h15-16H,9-13H2,1-8H3/t15-,16+/m0/s1
InChIKeyAYGSSKXICQJJII-JKSUJKDBSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.37
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 [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane (CID 134922499) is [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane is CCCC[C@H]1CC[C@@H](C(C)(C)C)C(O[Si](C)(C)C)=C1C.
What is the InChIKey of [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is AYGSSKXICQJJII-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H36OSi/c1-9-10-11-15-12-13-16(18(3,4)5)17(14(15)2)19-20(6,7)8/h15-16H,9-13H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane?
[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134922499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).