tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane

C20H38OSi — CID 100920324

IUPACtert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane
SMILESCCCCCCC#C[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C20H38OSi/c1-9-10-11-12-13-14-15-20(16-18(20)17(2)3)21-22(7,8)19(4,5)6/h17-18H,9-13,16H2,1-8H3/t18-,20-/m1/s1
InChIKeyQFKIRBPMVSZNQX-UYAOXDASSA-N
MW322.61 g/mol
LogP6.40
Rot. Bonds7

About tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane

tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane (PubChem CID 100920324) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane
PubChem CID100920324
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane
SMILESCCCCCCC#C[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C20H38OSi/c1-9-10-11-12-13-14-15-20(16-18(20)17(2)3)21-22(7,8)19(4,5)6/h17-18H,9-13,16H2,1-8H3/t18-,20-/m1/s1
InChIKeyQFKIRBPMVSZNQX-UYAOXDASSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane with MolForge

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Related Compounds

(1-Dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
CID 134877637
[(4-Cyclopropyloct-1-yn-4-yl)oxy](trimethyl)silane
CID 13078752
4-Cyclopropylhept-1-yn-4-yloxy(trimethyl)silane
CID 54222513
Triethyl(4-ethyloct-1-yn-4-yloxy)silane
CID 54243911
Triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
CID 154121335
tert-butyl-dimethyl-[(1R,2S)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane
CID 100920320
tert-butyl-dimethyl-[(1S,2R)-2-methyl-1-oct-1-ynylcyclopropyl]oxysilane
CID 100920321
tert-butyl-dimethyl-[(1S,2S)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane
CID 100920325
Tert-butyl-(1-diethylalumanyl-4-methyloct-1-yn-4-yl)oxy-dimethylsilane
CID 177599995

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane (CID 100920324) is tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane is CCCCCCC#C[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@@H]1C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane?
The InChIKey is QFKIRBPMVSZNQX-UYAOXDASSA-N. The full InChI is InChI=1S/C20H38OSi/c1-9-10-11-12-13-14-15-20(16-18(20)17(2)3)21-22(7,8)19(4,5)6/h17-18H,9-13,16H2,1-8H3/t18-,20-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane?
tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane has a molecular weight of 322.61 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2R)-1-oct-1-ynyl-2-propan-2-ylcyclopropyl]oxysilane is sourced from PubChem (CID 100920324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).