2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane

C16H30Si — CID 10092051

IUPAC2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane
SMILESC[C@@H]1CCC[C@@]1(C#C[Si](C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H30Si/c1-14-9-8-10-16(14,13-15(2,3)4)11-12-17(5,6)7/h14H,8-10,13H2,1-7H3/t14-,16-/m1/s1
InChIKeyOCPFLNFOEAZAAG-GDBMZVCRSA-N
MW250.50 g/mol
LogP5.11
Rot. Bonds1

About 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane

2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane (PubChem CID 10092051) has the molecular formula C16H30Si and a molecular weight of 250.50 g/mol. Its IUPAC name is 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane
PubChem CID10092051
Molecular FormulaC16H30Si
Molecular Weight250.50 g/mol
Exact Mass250.21
IUPAC Name2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane
SMILESC[C@@H]1CCC[C@@]1(C#C[Si](C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H30Si/c1-14-9-8-10-16(14,13-15(2,3)4)11-12-17(5,6)7/h14H,8-10,13H2,1-7H3/t14-,16-/m1/s1
InChIKeyOCPFLNFOEAZAAG-GDBMZVCRSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.50
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-2-methylcyclopentane-1-carbonitrile
CID 131162812
(1,2-dimethylcyclopentyl)-trimethylsilane
CID 175194717
(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
CID 102399716
1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
CID 11805656
1-(2,2-dimethylpropyl)-2-methylcyclopropan-1-amine
CID 79333729
(4S)-4-methylspiro[4.4]nonane
CID 148967518
[(Z)-2-[(1S,2R)-1-(2,2-dimethylpropyl)-2-(iodomethyl)cyclopentyl]ethenyl]-trimethylsilane
CID 10068219
2,3-dimethylbutan-2-yl-[(1R,2R)-1-ethynyl-2-methylcyclopentyl]oxy-dimethylsilane
CID 10445662
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
1-(2,2-dimethylpropyl)-1-(ethyldisulfanyl)cyclohexane
CID 138713093
(2R)-1-ethyl-1-(1-ethylcyclopentyl)-2-methylcyclopentane
CID 163427402
1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
CID 142654820

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane (CID 10092051) is 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane is C[C@@H]1CCC[C@@]1(C#C[Si](C)(C)C)CC(C)(C)C.
What is the InChIKey of 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane?
The InChIKey is OCPFLNFOEAZAAG-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H30Si/c1-14-9-8-10-16(14,13-15(2,3)4)11-12-17(5,6)7/h14H,8-10,13H2,1-7H3/t14-,16-/m1/s1.
What are the key properties of 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane?
2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane has a molecular weight of 250.50 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-1-(2,2-dimethylpropyl)-2-methylcyclopentyl]ethynyl-trimethylsilane is sourced from PubChem (CID 10092051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).