(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane

C13H25N3OSi — CID 102045796

IUPAC(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane
SMILESCC1(C)C2CC(N=[N+]=[N-])C(C)(O[Si](C)(C)C)C1C2
InChIInChI=1S/C13H25N3OSi/c1-12(2)9-7-10(12)13(3,17-18(4,5)6)11(8-9)15-16-14/h9-11H,7-8H2,1-6H3
InChIKeyFEXHSLXYTFPLNE-UHFFFAOYSA-N
MW267.45 g/mol
LogP4.34
Rot. Bonds3

About (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane

(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane (PubChem CID 102045796) has the molecular formula C13H25N3OSi and a molecular weight of 267.45 g/mol. Its IUPAC name is (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane
PubChem CID102045796
Molecular FormulaC13H25N3OSi
Molecular Weight267.45 g/mol
Exact Mass267.18
IUPAC Name(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane
SMILESCC1(C)C2CC(N=[N+]=[N-])C(C)(O[Si](C)(C)C)C1C2
InChIInChI=1S/C13H25N3OSi/c1-12(2)9-7-10(12)13(3,17-18(4,5)6)11(8-9)15-16-14/h9-11H,7-8H2,1-6H3
InChIKeyFEXHSLXYTFPLNE-UHFFFAOYSA-N
XLogP4.34
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
CID 101246602
cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane
CID 134983841
[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury
CID 134883264
(3R)-3-azido-4,4-dimethyloxolan-2-one
CID 46737241
(1S,2S,6R,8S)-4-[(2S)-1-azidopropan-2-yl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 90295455
(1S,2S,4S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 5483707
2,3-diazidooxirane
CID 135383367
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
CID 71271431
(3aS,4R,6S,6aR)-4-azido-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 121279537
trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 161192678
(4S,9S)-4,9-diazidospiro[4.4]nonane
CID 58321015

Frequently Asked Questions

What is the IUPAC name of (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane?
The IUPAC name of (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane (CID 102045796) is (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane.
What is the SMILES notation for (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane?
The canonical SMILES for (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane is CC1(C)C2CC(N=[N+]=[N-])C(C)(O[Si](C)(C)C)C1C2.
What is the InChIKey of (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane?
The InChIKey is FEXHSLXYTFPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OSi/c1-12(2)9-7-10(12)13(3,17-18(4,5)6)11(8-9)15-16-14/h9-11H,7-8H2,1-6H3.
What are the key properties of (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane?
(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane has a molecular weight of 267.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane is sourced from PubChem (CID 102045796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).