(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride

C13H27ClO2Si — CID 14084666

IUPAC(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride
SMILESCC(C)[Si](O[C@H](C)CC(=O)Cl)(C(C)C)C(C)C
InChIInChI=1S/C13H27ClO2Si/c1-9(2)17(10(3)4,11(5)6)16-12(7)8-13(14)15/h9-12H,8H2,1-7H3/t12-/m1/s1
InChIKeyNJEAGEPAOHTEQA-GFCCVEGCSA-N
MW278.90 g/mol
LogP4.72
Rot. Bonds7

About (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride

(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride (PubChem CID 14084666) has the molecular formula C13H27ClO2Si and a molecular weight of 278.90 g/mol. Its IUPAC name is (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride.

Molecular Properties

Compound Name(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride
PubChem CID14084666
Molecular FormulaC13H27ClO2Si
Molecular Weight278.90 g/mol
Exact Mass278.15
IUPAC Name(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride
SMILESCC(C)[Si](O[C@H](C)CC(=O)Cl)(C(C)C)C(C)C
InChIInChI=1S/C13H27ClO2Si/c1-9(2)17(10(3)4,11(5)6)16-12(7)8-13(14)15/h9-12H,8H2,1-7H3/t12-/m1/s1
InChIKeyNJEAGEPAOHTEQA-GFCCVEGCSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.90
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride?
The IUPAC name of (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride (CID 14084666) is (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride.
What is the SMILES notation for (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride?
The canonical SMILES for (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride is CC(C)[Si](O[C@H](C)CC(=O)Cl)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride?
The InChIKey is NJEAGEPAOHTEQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27ClO2Si/c1-9(2)17(10(3)4,11(5)6)16-12(7)8-13(14)15/h9-12H,8H2,1-7H3/t12-/m1/s1.
What are the key properties of (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride?
(3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride has a molecular weight of 278.90 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tri(propan-2-yl)silyloxybutanoyl chloride is sourced from PubChem (CID 14084666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).