(E)-6-trimethylsilylhex-4-en-3-one

C9H18OSi — CID 101197724

IUPAC(E)-6-trimethylsilylhex-4-en-3-one
SMILESCCC(=O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-9(10)7-6-8-11(2,3)4/h6-7H,5,8H2,1-4H3/b7-6+
InChIKeyMDNFYTHYVIENSM-VOTSOKGWSA-N
MW170.33 g/mol
LogP2.86
Rot. Bonds4

About (E)-6-trimethylsilylhex-4-en-3-one

(E)-6-trimethylsilylhex-4-en-3-one (PubChem CID 101197724) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is (E)-6-trimethylsilylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-trimethylsilylhex-4-en-3-one
PubChem CID101197724
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name(E)-6-trimethylsilylhex-4-en-3-one
SMILESCCC(=O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-9(10)7-6-8-11(2,3)4/h6-7H,5,8H2,1-4H3/b7-6+
InChIKeyMDNFYTHYVIENSM-VOTSOKGWSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-trimethylsilylhex-4-en-3-one?
The IUPAC name of (E)-6-trimethylsilylhex-4-en-3-one (CID 101197724) is (E)-6-trimethylsilylhex-4-en-3-one.
What is the SMILES notation for (E)-6-trimethylsilylhex-4-en-3-one?
The canonical SMILES for (E)-6-trimethylsilylhex-4-en-3-one is CCC(=O)/C=C/C[Si](C)(C)C.
What is the InChIKey of (E)-6-trimethylsilylhex-4-en-3-one?
The InChIKey is MDNFYTHYVIENSM-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-9(10)7-6-8-11(2,3)4/h6-7H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-6-trimethylsilylhex-4-en-3-one?
(E)-6-trimethylsilylhex-4-en-3-one has a molecular weight of 170.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-trimethylsilylhex-4-en-3-one is sourced from PubChem (CID 101197724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).