[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane

C16H30OSi — CID 134999883

IUPAC[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1CC=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-7-8-11-14-12-9-10-13-15(14)17-18(5,6)16(2,3)4/h7,9-10,14-15H,1,8,11-13H2,2-6H3/t14-,15-/m0/s1
InChIKeyLYCDCYWYVPQNNQ-GJZGRUSLSA-N
MW266.50 g/mol
LogP5.31
Rot. Bonds5

About [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134999883) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134999883
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1CC=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-7-8-11-14-12-9-10-13-15(14)17-18(5,6)16(2,3)4/h7,9-10,14-15H,1,8,11-13H2,2-6H3/t14-,15-/m0/s1
InChIKeyLYCDCYWYVPQNNQ-GJZGRUSLSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 134999883) is [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane is C=CCC[C@H]1CC=CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LYCDCYWYVPQNNQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30OSi/c1-7-8-11-14-12-9-10-13-15(14)17-18(5,6)16(2,3)4/h7,9-10,14-15H,1,8,11-13H2,2-6H3/t14-,15-/m0/s1.
What are the key properties of [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134999883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).