[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane

C15H26OSi — CID 10106174

IUPAC[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC#CCC[C@]1(C)C(O[Si](C)(C)C)=CCC[C@H]1C
InChIInChI=1S/C15H26OSi/c1-7-8-12-15(3)13(2)10-9-11-14(15)16-17(4,5)6/h1,11,13H,8-10,12H2,2-6H3/t13-,15+/m1/s1
InChIKeyRALJNRPETGJTGQ-HIFRSBDPSA-N
MW250.46 g/mol
LogP4.57
Rot. Bonds4

About [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane

[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 10106174) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID10106174
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC#CCC[C@]1(C)C(O[Si](C)(C)C)=CCC[C@H]1C
InChIInChI=1S/C15H26OSi/c1-7-8-12-15(3)13(2)10-9-11-14(15)16-17(4,5)6/h1,11,13H,8-10,12H2,2-6H3/t13-,15+/m1/s1
InChIKeyRALJNRPETGJTGQ-HIFRSBDPSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane (CID 10106174) is [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane is C#CCC[C@]1(C)C(O[Si](C)(C)C)=CCC[C@H]1C.
What is the InChIKey of [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is RALJNRPETGJTGQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H26OSi/c1-7-8-12-15(3)13(2)10-9-11-14(15)16-17(4,5)6/h1,11,13H,8-10,12H2,2-6H3/t13-,15+/m1/s1.
What are the key properties of [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane?
[(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 250.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-6-but-3-ynyl-5,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10106174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).