2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one

C17H26OSi — CID 14928913

IUPAC2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one
SMILESC=C(CCC=C1C=C(C)C(=O)C(C)=C1)C[Si](C)(C)C
InChIInChI=1S/C17H26OSi/c1-13(12-19(4,5)6)8-7-9-16-10-14(2)17(18)15(3)11-16/h9-11H,1,7-8,12H2,2-6H3
InChIKeyUCRMSXITZGBGMY-UHFFFAOYSA-N
MW274.48 g/mol
LogP5.06
Rot. Bonds5

About 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one

2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one (PubChem CID 14928913) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one
PubChem CID14928913
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one
SMILESC=C(CCC=C1C=C(C)C(=O)C(C)=C1)C[Si](C)(C)C
InChIInChI=1S/C17H26OSi/c1-13(12-19(4,5)6)8-7-9-16-10-14(2)17(18)15(3)11-16/h9-11H,1,7-8,12H2,2-6H3
InChIKeyUCRMSXITZGBGMY-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one (CID 14928913) is 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one is C=C(CCC=C1C=C(C)C(=O)C(C)=C1)C[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is UCRMSXITZGBGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-13(12-19(4,5)6)8-7-9-16-10-14(2)17(18)15(3)11-16/h9-11H,1,7-8,12H2,2-6H3.
What are the key properties of 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one?
2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 274.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(trimethylsilylmethyl)pent-4-enylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 14928913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).