(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one

C14H30O2Si — CID 10967189

IUPAC(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(=O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-10(2)17(11(3)4,12(5)6)16-9-13(7)14(8)15/h10-13H,9H2,1-8H3/t13-/m0/s1
InChIKeyIMBWJODXOYPCGO-ZDUSSCGKSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds7

About (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one

(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one (PubChem CID 10967189) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one
PubChem CID10967189
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one
SMILESCC(=O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-10(2)17(11(3)4,12(5)6)16-9-13(7)14(8)15/h10-13H,9H2,1-8H3/t13-/m0/s1
InChIKeyIMBWJODXOYPCGO-ZDUSSCGKSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
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-methyl-4-tri(propan-2-yl)silyloxybutan-2-one?
The IUPAC name of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one (CID 10967189) is (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one.
What is the SMILES notation for (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one?
The canonical SMILES for (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one is CC(=O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one?
The InChIKey is IMBWJODXOYPCGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-10(2)17(11(3)4,12(5)6)16-9-13(7)14(8)15/h10-13H,9H2,1-8H3/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one?
(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one has a molecular weight of 258.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutan-2-one is sourced from PubChem (CID 10967189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).