2,2-dimethyl-7-trimethylsilylheptan-3-one

C12H26OSi — CID 23525952

IUPAC2,2-dimethyl-7-trimethylsilylheptan-3-one
SMILESCC(C)(C)C(=O)CCCC[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-12(2,3)11(13)9-7-8-10-14(4,5)6/h7-10H2,1-6H3
InChIKeyBTSQEHPRBTZVGU-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.11
Rot. Bonds5

About 2,2-dimethyl-7-trimethylsilylheptan-3-one

2,2-dimethyl-7-trimethylsilylheptan-3-one (PubChem CID 23525952) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is 2,2-dimethyl-7-trimethylsilylheptan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-7-trimethylsilylheptan-3-one
PubChem CID23525952
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2,2-dimethyl-7-trimethylsilylheptan-3-one
SMILESCC(C)(C)C(=O)CCCC[Si](C)(C)C
InChIInChI=1S/C12H26OSi/c1-12(2,3)11(13)9-7-8-10-14(4,5)6/h7-10H2,1-6H3
InChIKeyBTSQEHPRBTZVGU-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
sodium 5-trimethylsilylpentanoate
CID 157288154
N,7,7-trimethyl-6-oxooctanamide
CID 149454970
7-methoxy-2,2-dimethylheptan-3-one
CID 58592140
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643
1-iodo-10,10-dimethylundecane-2,9-dione
CID 157286345
6-amino-6-(4-trimethylsilylbutyl)dodecanedioic acid
CID 147257528
8-(tert-butylamino)-2,2-dimethyloctan-3-one
CID 58895617
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
1-cyclopropyl-6,6-dimethylheptane-1,5-dione
CID 123777763

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-trimethylsilylheptan-3-one?
The IUPAC name of 2,2-dimethyl-7-trimethylsilylheptan-3-one (CID 23525952) is 2,2-dimethyl-7-trimethylsilylheptan-3-one.
What is the SMILES notation for 2,2-dimethyl-7-trimethylsilylheptan-3-one?
The canonical SMILES for 2,2-dimethyl-7-trimethylsilylheptan-3-one is CC(C)(C)C(=O)CCCC[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-7-trimethylsilylheptan-3-one?
The InChIKey is BTSQEHPRBTZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-12(2,3)11(13)9-7-8-10-14(4,5)6/h7-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-7-trimethylsilylheptan-3-one?
2,2-dimethyl-7-trimethylsilylheptan-3-one has a molecular weight of 214.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-trimethylsilylheptan-3-one is sourced from PubChem (CID 23525952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).