4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one

C12H24OSi — CID 13029035

IUPAC4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one
SMILESC=C(C[Si](C)(C)C)C(C)(C)CC(C)=O
InChIInChI=1S/C12H24OSi/c1-10(9-14(5,6)7)12(3,4)8-11(2)13/h1,8-9H2,2-7H3
InChIKeyLEZJNFSAARMUIQ-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.89
Rot. Bonds5

About 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one

4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one (PubChem CID 13029035) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one.

Molecular Properties

Compound Name4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one
PubChem CID13029035
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one
SMILESC=C(C[Si](C)(C)C)C(C)(C)CC(C)=O
InChIInChI=1S/C12H24OSi/c1-10(9-14(5,6)7)12(3,4)8-11(2)13/h1,8-9H2,2-7H3
InChIKeyLEZJNFSAARMUIQ-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.89
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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Related Compounds

4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
N,N-bis(2-methoxyethyl)-2,2-dimethyl-3-(trimethylsilylmethyl)but-3-en-1-amine
CID 101345058
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
3,3,5-trimethylhex-5-en-2-one
CID 22159646
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
2-methyl-4-oxopentan-2-olate
CID 101443169
3-acetyl-3-methylhexane-2,5-dione
CID 12571378
3,3,5,5-tetramethyloctane-2,7-dione
CID 88565088
2,6,6-trimethyl-3-methylidenehept-1-en-4-one
CID 169195899
2-oxopropyl 2-trimethylsilylacetate
CID 14545303
CID 139174377
CID 139174377

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one?
The IUPAC name of 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one (CID 13029035) is 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one.
What is the SMILES notation for 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one?
The canonical SMILES for 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one is C=C(C[Si](C)(C)C)C(C)(C)CC(C)=O.
What is the InChIKey of 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one?
The InChIKey is LEZJNFSAARMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(9-14(5,6)7)12(3,4)8-11(2)13/h1,8-9H2,2-7H3.
What are the key properties of 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one?
4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one has a molecular weight of 212.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one is sourced from PubChem (CID 13029035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).