[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane

C13H25N3OSi — CID 101246602

IUPAC[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
SMILESC=C(C)[C@@H]1CC[C@](C)(O[Si](C)(C)C)[C@@H](N=[N+]=[N-])C1
InChIInChI=1S/C13H25N3OSi/c1-10(2)11-7-8-13(3,17-18(4,5)6)12(9-11)15-16-14/h11-12H,1,7-9H2,2-6H3/t11-,12+,13+/m1/s1
InChIKeyGVHDUNCSLLDYGA-AGIUHOORSA-N
MW267.45 g/mol
LogP4.65
Rot. Bonds4

About [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane

[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane (PubChem CID 101246602) has the molecular formula C13H25N3OSi and a molecular weight of 267.45 g/mol. Its IUPAC name is [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
PubChem CID101246602
Molecular FormulaC13H25N3OSi
Molecular Weight267.45 g/mol
Exact Mass267.18
IUPAC Name[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
SMILESC=C(C)[C@@H]1CC[C@](C)(O[Si](C)(C)C)[C@@H](N=[N+]=[N-])C1
InChIInChI=1S/C13H25N3OSi/c1-10(2)11-7-8-13(3,17-18(4,5)6)12(9-11)15-16-14/h11-12H,1,7-9H2,2-6H3/t11-,12+,13+/m1/s1
InChIKeyGVHDUNCSLLDYGA-AGIUHOORSA-N
XLogP4.65
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 54.65
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

2-azido-2-methyl-5-prop-1-en-2-ylcyclohexan-1-amine
CID 86078004
(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane
CID 102045796
[(1S,2S,5R)-2-azido-2-methyl-5-prop-1-en-2-ylcyclohexyl] methanesulfonate
CID 11011167
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.2.0]octan-8-one
CID 164910073
(4aR,6S,8aR)-8a-methyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-benzo[b][1,4]oxathiine
CID 101418903
(1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 71719409
trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 161192678
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
cis-(1R,4R)-2-[(2R,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]tellanyl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 177393311
1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,2,4-triol
CID 162838745
(1aS,3aR,6R,7aS,7bR)-3a,7b-dimethyl-6-prop-1-en-2-yl-1a,2,3,4,5,6,7,7a-octahydronaphtho[1,2-b]oxirene
CID 11127822

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane (CID 101246602) is [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane is C=C(C)[C@@H]1CC[C@](C)(O[Si](C)(C)C)[C@@H](N=[N+]=[N-])C1.
What is the InChIKey of [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane?
The InChIKey is GVHDUNCSLLDYGA-AGIUHOORSA-N. The full InChI is InChI=1S/C13H25N3OSi/c1-10(2)11-7-8-13(3,17-18(4,5)6)12(9-11)15-16-14/h11-12H,1,7-9H2,2-6H3/t11-,12+,13+/m1/s1.
What are the key properties of [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane?
[(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane has a molecular weight of 267.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 101246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).