2-(3-trimethylsilylpropyl)cycloheptan-1-one

C13H26OSi — CID 10263118

IUPAC2-(3-trimethylsilylpropyl)cycloheptan-1-one
SMILESC[Si](C)(C)CCCC1CCCCCC1=O
InChIInChI=1S/C13H26OSi/c1-15(2,3)11-7-9-12-8-5-4-6-10-13(12)14/h12H,4-11H2,1-3H3
InChIKeyGAYDZVDAVHBKMQ-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-trimethylsilylpropyl)cycloheptan-1-one

2-(3-trimethylsilylpropyl)cycloheptan-1-one (PubChem CID 10263118) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 2-(3-trimethylsilylpropyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(3-trimethylsilylpropyl)cycloheptan-1-one
PubChem CID10263118
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name2-(3-trimethylsilylpropyl)cycloheptan-1-one
SMILESC[Si](C)(C)CCCC1CCCCCC1=O
InChIInChI=1S/C13H26OSi/c1-15(2,3)11-7-9-12-8-5-4-6-10-13(12)14/h12H,4-11H2,1-3H3
InChIKeyGAYDZVDAVHBKMQ-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methylcycloheptanone
CID 227397
2-Methylcycloheptanone
CID 543503
(3R)-3-methylcycloheptan-1-one
CID 11815867
2-Ethylcycloheptan-1-one
CID 226593
3-Methylcycloheptanone
CID 534955
Cycloheptanone, 3-butyl-
CID 573882
1-Cycloheptylpropan-1-one
CID 12585765
1-Cycloheptylethan-1-one
CID 12676352
2-Isopropylcycloheptanone
CID 15074129
4-Ethylcycloheptan-1-one
CID 15698158
1-Cycloheptylpropan-2-one
CID 227413
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilylpropyl)cycloheptan-1-one?
The IUPAC name of 2-(3-trimethylsilylpropyl)cycloheptan-1-one (CID 10263118) is 2-(3-trimethylsilylpropyl)cycloheptan-1-one.
What is the SMILES notation for 2-(3-trimethylsilylpropyl)cycloheptan-1-one?
The canonical SMILES for 2-(3-trimethylsilylpropyl)cycloheptan-1-one is C[Si](C)(C)CCCC1CCCCCC1=O.
What is the InChIKey of 2-(3-trimethylsilylpropyl)cycloheptan-1-one?
The InChIKey is GAYDZVDAVHBKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-15(2,3)11-7-9-12-8-5-4-6-10-13(12)14/h12H,4-11H2,1-3H3.
What are the key properties of 2-(3-trimethylsilylpropyl)cycloheptan-1-one?
2-(3-trimethylsilylpropyl)cycloheptan-1-one has a molecular weight of 226.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilylpropyl)cycloheptan-1-one is sourced from PubChem (CID 10263118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).