1-tri(propan-2-yl)silylhexan-1-one

C15H32OSi — CID 11076084

IUPAC1-tri(propan-2-yl)silylhexan-1-one
SMILESCCCCCC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32OSi/c1-8-9-10-11-15(16)17(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeySYSJJSJPEZAVFZ-UHFFFAOYSA-N
MW256.51 g/mol
LogP5.35
Rot. Bonds8

About 1-tri(propan-2-yl)silylhexan-1-one

1-tri(propan-2-yl)silylhexan-1-one (PubChem CID 11076084) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylhexan-1-one.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylhexan-1-one
PubChem CID11076084
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Name1-tri(propan-2-yl)silylhexan-1-one
SMILESCCCCCC(=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32OSi/c1-8-9-10-11-15(16)17(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeySYSJJSJPEZAVFZ-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silylhexan-1-one?
The IUPAC name of 1-tri(propan-2-yl)silylhexan-1-one (CID 11076084) is 1-tri(propan-2-yl)silylhexan-1-one.
What is the SMILES notation for 1-tri(propan-2-yl)silylhexan-1-one?
The canonical SMILES for 1-tri(propan-2-yl)silylhexan-1-one is CCCCCC(=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silylhexan-1-one?
The InChIKey is SYSJJSJPEZAVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi/c1-8-9-10-11-15(16)17(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silylhexan-1-one?
1-tri(propan-2-yl)silylhexan-1-one has a molecular weight of 256.51 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silylhexan-1-one is sourced from PubChem (CID 11076084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).