(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one

C10H18OSi — CID 15001359

IUPAC(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
SMILESC=C(C[Si](C)(C)C)C(=O)/C=C/C
InChIInChI=1S/C10H18OSi/c1-6-7-10(11)9(2)8-12(3,4)5/h6-7H,2,8H2,1,3-5H3/b7-6+
InChIKeyJAQJRKAWZTZUHU-VOTSOKGWSA-N
MW182.34 g/mol
LogP3.03
Rot. Bonds4

About (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one

(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one (PubChem CID 15001359) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one.

Molecular Properties

Compound Name(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
PubChem CID15001359
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one
SMILESC=C(C[Si](C)(C)C)C(=O)/C=C/C
InChIInChI=1S/C10H18OSi/c1-6-7-10(11)9(2)8-12(3,4)5/h6-7H,2,8H2,1,3-5H3/b7-6+
InChIKeyJAQJRKAWZTZUHU-VOTSOKGWSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 53.03
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 (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
The IUPAC name of (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one (CID 15001359) is (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one.
What is the SMILES notation for (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
The canonical SMILES for (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one is C=C(C[Si](C)(C)C)C(=O)/C=C/C.
What is the InChIKey of (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
The InChIKey is JAQJRKAWZTZUHU-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18OSi/c1-6-7-10(11)9(2)8-12(3,4)5/h6-7H,2,8H2,1,3-5H3/b7-6+.
What are the key properties of (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one?
(4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one has a molecular weight of 182.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(trimethylsilylmethyl)hexa-1,4-dien-3-one is sourced from PubChem (CID 15001359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).