5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one

C11H22O3Si — CID 10704653

IUPAC5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)CCCC1([Si](C)(C)C)OCCO1
InChIInChI=1S/C11H22O3Si/c1-10(12)6-5-7-11(15(2,3)4)13-8-9-14-11/h5-9H2,1-4H3
InChIKeyINNXYROYYSBLDF-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.37
Rot. Bonds5

About 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one

5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 10704653) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID10704653
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)CCCC1([Si](C)(C)C)OCCO1
InChIInChI=1S/C11H22O3Si/c1-10(12)6-5-7-11(15(2,3)4)13-8-9-14-11/h5-9H2,1-4H3
InChIKeyINNXYROYYSBLDF-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 10725866
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)butan-2-one
CID 14523090
Ethyl 5-oxohexanoate ethyleneacetal
CID 129738542
1-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
CID 134856017

Frequently Asked Questions

What is the IUPAC name of 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one (CID 10704653) is 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one is CC(=O)CCCC1([Si](C)(C)C)OCCO1.
What is the InChIKey of 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is INNXYROYYSBLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(12)6-5-7-11(15(2,3)4)13-8-9-14-11/h5-9H2,1-4H3.
What are the key properties of 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one?
5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 230.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 10704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).