[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane

C15H33BrOSi — CID 56957599

IUPAC[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H](C)CCCBr)(C(C)C)C(C)C
InChIInChI=1S/C15H33BrOSi/c1-12(2)18(13(3)4,14(5)6)17-11-15(7)9-8-10-16/h12-15H,8-11H2,1-7H3/t15-/m0/s1
InChIKeyHKLJCAURHZAXIQ-HNNXBMFYSA-N
MW337.42 g/mol
LogP5.99
Rot. Bonds9

About [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane

[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane (PubChem CID 56957599) has the molecular formula C15H33BrOSi and a molecular weight of 337.42 g/mol. Its IUPAC name is [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane
PubChem CID56957599
Molecular FormulaC15H33BrOSi
Molecular Weight337.42 g/mol
Exact Mass336.15
IUPAC Name[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H](C)CCCBr)(C(C)C)C(C)C
InChIInChI=1S/C15H33BrOSi/c1-12(2)18(13(3)4,14(5)6)17-11-15(7)9-8-10-16/h12-15H,8-11H2,1-7H3/t15-/m0/s1
InChIKeyHKLJCAURHZAXIQ-HNNXBMFYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane (CID 56957599) is [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H](C)CCCBr)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane?
The InChIKey is HKLJCAURHZAXIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H33BrOSi/c1-12(2)18(13(3)4,14(5)6)17-11-15(7)9-8-10-16/h12-15H,8-11H2,1-7H3/t15-/m0/s1.
What are the key properties of [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane?
[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane has a molecular weight of 337.42 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 56957599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).