(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one

C15H30O2Si — CID 24745033

IUPAC(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one
SMILESCCC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-8-15(16)10-9-11-17-18(12(2)3,13(4)5)14(6)7/h9-10,12-14H,8,11H2,1-7H3/b10-9+
InChIKeyROCCAJLZIPUJON-MDZDMXLPSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds8

About (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one

(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one (PubChem CID 24745033) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one
PubChem CID24745033
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one
SMILESCCC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-8-15(16)10-9-11-17-18(12(2)3,13(4)5)14(6)7/h9-10,12-14H,8,11H2,1-7H3/b10-9+
InChIKeyROCCAJLZIPUJON-MDZDMXLPSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one?
The IUPAC name of (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one (CID 24745033) is (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one.
What is the SMILES notation for (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one?
The canonical SMILES for (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one is CCC(=O)/C=C/CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one?
The InChIKey is ROCCAJLZIPUJON-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-15(16)10-9-11-17-18(12(2)3,13(4)5)14(6)7/h9-10,12-14H,8,11H2,1-7H3/b10-9+.
What are the key properties of (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one?
(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one has a molecular weight of 270.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one is sourced from PubChem (CID 24745033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).