[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane

C10H22BrN3Si — CID 101260695

IUPAC[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane
SMILESCCCCC[C@@H](N=[N+]=[N-])[C@@H](Br)[Si](C)(C)C
InChIInChI=1S/C10H22BrN3Si/c1-5-6-7-8-9(13-14-12)10(11)15(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyMXSDMHYSTRERJD-ZJUUUORDSA-N
MW292.30 g/mol
LogP4.89
Rot. Bonds7

About [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane

[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane (PubChem CID 101260695) has the molecular formula C10H22BrN3Si and a molecular weight of 292.30 g/mol. Its IUPAC name is [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane
PubChem CID101260695
Molecular FormulaC10H22BrN3Si
Molecular Weight292.30 g/mol
Exact Mass291.08
IUPAC Name[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane
SMILESCCCCC[C@@H](N=[N+]=[N-])[C@@H](Br)[Si](C)(C)C
InChIInChI=1S/C10H22BrN3Si/c1-5-6-7-8-9(13-14-12)10(11)15(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyMXSDMHYSTRERJD-ZJUUUORDSA-N
XLogP4.89
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 122603304
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CID 174670947
(2S)-2-azidononane
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(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
2-azidooctadecane-1,3,4-triol
CID 14017259
(2S,3R)-3-azido-2-butylheptanoic acid
CID 164670285
(2S)-2-azidoheptanoic acid
CID 122577491
1-azidododecane-1-sulfinic acid
CID 174505373
1-azido-2-bromohexane
CID 134993142
(2S,3S)-3-azido-1-phenylheptan-2-amine;hydrochloride
CID 140515436
1-azidododecane-1-sulfinate
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6-bromopentadecane
CID 86639780

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane?
The IUPAC name of [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane (CID 101260695) is [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane.
What is the SMILES notation for [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane?
The canonical SMILES for [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane is CCCCC[C@@H](N=[N+]=[N-])[C@@H](Br)[Si](C)(C)C.
What is the InChIKey of [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane?
The InChIKey is MXSDMHYSTRERJD-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22BrN3Si/c1-5-6-7-8-9(13-14-12)10(11)15(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane?
[(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane has a molecular weight of 292.30 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azido-1-bromoheptyl]-trimethylsilane is sourced from PubChem (CID 101260695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).