(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one

C16H32O2Si — CID 162401339

IUPAC(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one
SMILESCC(=O)/C=C/CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)19(14(3)4,15(5)6)18-12-10-8-9-11-16(7)17/h9,11,13-15H,8,10,12H2,1-7H3/b11-9+
InChIKeyBZZAQPAASVQHQW-PKNBQFBNSA-N
MW284.52 g/mol
LogP5.10
Rot. Bonds9

About (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one

(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one (PubChem CID 162401339) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one.

Molecular Properties

Compound Name(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one
PubChem CID162401339
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one
SMILESCC(=O)/C=C/CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)19(14(3)4,15(5)6)18-12-10-8-9-11-16(7)17/h9,11,13-15H,8,10,12H2,1-7H3/b11-9+
InChIKeyBZZAQPAASVQHQW-PKNBQFBNSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one?
The IUPAC name of (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one (CID 162401339) is (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one.
What is the SMILES notation for (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one?
The canonical SMILES for (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one is CC(=O)/C=C/CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one?
The InChIKey is BZZAQPAASVQHQW-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(2)19(14(3)4,15(5)6)18-12-10-8-9-11-16(7)17/h9,11,13-15H,8,10,12H2,1-7H3/b11-9+.
What are the key properties of (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one?
(E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one has a molecular weight of 284.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-tri(propan-2-yl)silyloxyhept-3-en-2-one is sourced from PubChem (CID 162401339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).