(3S)-3-tri(propan-2-yl)silyloxybutan-2-one

C13H28O2Si — CID 157456186

IUPAC(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(=O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-9(2)16(10(3)4,11(5)6)15-13(8)12(7)14/h9-11,13H,1-8H3/t13-/m0/s1
InChIKeyUSEJXRRETMLLGE-ZDUSSCGKSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds6

About (3S)-3-tri(propan-2-yl)silyloxybutan-2-one

(3S)-3-tri(propan-2-yl)silyloxybutan-2-one (PubChem CID 157456186) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3S)-3-tri(propan-2-yl)silyloxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
PubChem CID157456186
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(=O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-9(2)16(10(3)4,11(5)6)15-13(8)12(7)14/h9-11,13H,1-8H3/t13-/m0/s1
InChIKeyUSEJXRRETMLLGE-ZDUSSCGKSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-tri(propan-2-yl)silyloxybutan-2-one?
The IUPAC name of (3S)-3-tri(propan-2-yl)silyloxybutan-2-one (CID 157456186) is (3S)-3-tri(propan-2-yl)silyloxybutan-2-one.
What is the SMILES notation for (3S)-3-tri(propan-2-yl)silyloxybutan-2-one?
The canonical SMILES for (3S)-3-tri(propan-2-yl)silyloxybutan-2-one is CC(=O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-tri(propan-2-yl)silyloxybutan-2-one?
The InChIKey is USEJXRRETMLLGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-9(2)16(10(3)4,11(5)6)15-13(8)12(7)14/h9-11,13H,1-8H3/t13-/m0/s1.
What are the key properties of (3S)-3-tri(propan-2-yl)silyloxybutan-2-one?
(3S)-3-tri(propan-2-yl)silyloxybutan-2-one has a molecular weight of 244.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tri(propan-2-yl)silyloxybutan-2-one is sourced from PubChem (CID 157456186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).