[(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane

C14H29BrOSi — CID 138980997

IUPAC[(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane
SMILESC=C[C@@H](CBr)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H29BrOSi/c1-8-14(9-15)10-16-17(11(2)3,12(4)5)13(6)7/h8,11-14H,1,9-10H2,2-7H3/t14-/m0/s1
InChIKeyANLYUKWHUXIGHT-AWEZNQCLSA-N
MW321.38 g/mol
LogP5.38
Rot. Bonds8

About [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane

[(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 138980997) has the molecular formula C14H29BrOSi and a molecular weight of 321.38 g/mol. Its IUPAC name is [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane
PubChem CID138980997
Molecular FormulaC14H29BrOSi
Molecular Weight321.38 g/mol
Exact Mass320.12
IUPAC Name[(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane
SMILESC=C[C@@H](CBr)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H29BrOSi/c1-8-14(9-15)10-16-17(11(2)3,12(4)5)13(6)7/h8,11-14H,1,9-10H2,2-7H3/t14-/m0/s1
InChIKeyANLYUKWHUXIGHT-AWEZNQCLSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane (CID 138980997) is [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane is C=C[C@@H](CBr)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is ANLYUKWHUXIGHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29BrOSi/c1-8-14(9-15)10-16-17(11(2)3,12(4)5)13(6)7/h8,11-14H,1,9-10H2,2-7H3/t14-/m0/s1.
What are the key properties of [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane?
[(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 321.38 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(bromomethyl)but-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 138980997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).