(1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one

C9H16OSi — CID 12935883

IUPAC(1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one
SMILESC/C=C/C(=O)/C=C/[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-9(10)7-8-11(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKeyHSAWPZSSZKVSIE-BSWSSELBSA-N
MW168.31 g/mol
LogP2.57
Rot. Bonds3

About (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one

(1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one (PubChem CID 12935883) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one
PubChem CID12935883
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one
SMILESC/C=C/C(=O)/C=C/[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-9(10)7-8-11(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKeyHSAWPZSSZKVSIE-BSWSSELBSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.57
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 (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one (CID 12935883) is (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one is C/C=C/C(=O)/C=C/[Si](C)(C)C.
What is the InChIKey of (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one?
The InChIKey is HSAWPZSSZKVSIE-BSWSSELBSA-N. The full InChI is InChI=1S/C9H16OSi/c1-5-6-9(10)7-8-11(2,3)4/h5-8H,1-4H3/b6-5+,8-7+.
What are the key properties of (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one?
(1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one has a molecular weight of 168.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-trimethylsilylhexa-1,4-dien-3-one is sourced from PubChem (CID 12935883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).