tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane

C17H32OSi — CID 11652059

IUPACtert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
SMILESC=C(C)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C(C)[C@@H](C)C1
InChIInChI=1S/C17H32OSi/c1-12(2)15-10-13(3)14(4)16(11-15)18-19(8,9)17(5,6)7/h13,15H,1,10-11H2,2-9H3/t13-,15-/m0/s1
InChIKeyHJGHNXZYMAJIBG-ZFWWWQNUSA-N
MW280.53 g/mol
LogP5.90
Rot. Bonds3

About tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 11652059) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
PubChem CID11652059
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
SMILESC=C(C)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C(C)[C@@H](C)C1
InChIInChI=1S/C17H32OSi/c1-12(2)15-10-13(3)14(4)16(11-15)18-19(8,9)17(5,6)7/h13,15H,1,10-11H2,2-9H3/t13-,15-/m0/s1
InChIKeyHJGHNXZYMAJIBG-ZFWWWQNUSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.90
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 tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane (CID 11652059) is tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane is C=C(C)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C(C)[C@@H](C)C1.
What is the InChIKey of tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is HJGHNXZYMAJIBG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H32OSi/c1-12(2)15-10-13(3)14(4)16(11-15)18-19(8,9)17(5,6)7/h13,15H,1,10-11H2,2-9H3/t13-,15-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11652059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).