[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane

C9H17NOSi — CID 125483603

IUPAC[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane
SMILES[C-]#[N+][C@H]1CCC[C@H]1O[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-10-8-6-5-7-9(8)11-12(2,3)4/h8-9H,5-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyBWXJKPXSOVEAHD-DTWKUNHWSA-N
MW183.33 g/mol
LogP2.68
Rot. Bonds2

About [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane

[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane (PubChem CID 125483603) has the molecular formula C9H17NOSi and a molecular weight of 183.33 g/mol. Its IUPAC name is [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane
PubChem CID125483603
Molecular FormulaC9H17NOSi
Molecular Weight183.33 g/mol
Exact Mass183.11
IUPAC Name[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane
SMILES[C-]#[N+][C@H]1CCC[C@H]1O[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-10-8-6-5-7-9(8)11-12(2,3)4/h8-9H,5-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyBWXJKPXSOVEAHD-DTWKUNHWSA-N
XLogP2.68
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane?
The IUPAC name of [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane (CID 125483603) is [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane is [C-]#[N+][C@H]1CCC[C@H]1O[Si](C)(C)C.
What is the InChIKey of [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane?
The InChIKey is BWXJKPXSOVEAHD-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NOSi/c1-10-8-6-5-7-9(8)11-12(2,3)4/h8-9H,5-7H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane?
[(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane has a molecular weight of 183.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-isocyanocyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 125483603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).