2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane

C11H19ClSi — CID 564488

IUPAC2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane
SMILESCCC1(C)CC1(Cl)C#C[Si](C)(C)C
InChIInChI=1S/C11H19ClSi/c1-6-10(2)9-11(10,12)7-8-13(3,4)5/h6,9H2,1-5H3
InChIKeyLSDCFFWONQZLGB-UHFFFAOYSA-N
MW214.81 g/mol
LogP3.66
Rot. Bonds1

About 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane

2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane (PubChem CID 564488) has the molecular formula C11H19ClSi and a molecular weight of 214.81 g/mol. Its IUPAC name is 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane
PubChem CID564488
Molecular FormulaC11H19ClSi
Molecular Weight214.81 g/mol
Exact Mass214.09
IUPAC Name2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane
SMILESCCC1(C)CC1(Cl)C#C[Si](C)(C)C
InChIInChI=1S/C11H19ClSi/c1-6-10(2)9-11(10,12)7-8-13(3,4)5/h6,9H2,1-5H3
InChIKeyLSDCFFWONQZLGB-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.81
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol
CID 123619096
4-ethyl-4-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 131868971
CID 24764040
CID 24764040
1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
CID 11805656
[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
CID 10725845
3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 11005633
2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane
CID 45094288
2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane
CID 10596713
(1S,4S)-4-methoxy-2,3,4-trimethyl-1-(2-trimethylsilylethynyl)cyclobut-2-en-1-ol
CID 10354210
2-cuban-1-ylethynyl(trimethyl)silane
CID 14933534

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane (CID 564488) is 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane is CCC1(C)CC1(Cl)C#C[Si](C)(C)C.
What is the InChIKey of 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane?
The InChIKey is LSDCFFWONQZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClSi/c1-6-10(2)9-11(10,12)7-8-13(3,4)5/h6,9H2,1-5H3.
What are the key properties of 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane?
2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane has a molecular weight of 214.81 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-ethyl-2-methylcyclopropyl)ethynyl-trimethylsilane is sourced from PubChem (CID 564488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).