4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one

C6H10Cl2O3Si — CID 123515532

IUPAC4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
SMILESC[Si](Cl)(Cl)CCC1COC(=O)O1
InChIInChI=1S/C6H10Cl2O3Si/c1-12(7,8)3-2-5-4-10-6(9)11-5/h5H,2-4H2,1H3
InChIKeyIVISZSKZLGOGCX-UHFFFAOYSA-N
MW229.13 g/mol
LogP2.46
Rot. Bonds3

About 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one

4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one (PubChem CID 123515532) has the molecular formula C6H10Cl2O3Si and a molecular weight of 229.13 g/mol. Its IUPAC name is 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
PubChem CID123515532
Molecular FormulaC6H10Cl2O3Si
Molecular Weight229.13 g/mol
Exact Mass227.98
IUPAC Name4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
SMILESC[Si](Cl)(Cl)CCC1COC(=O)O1
InChIInChI=1S/C6H10Cl2O3Si/c1-12(7,8)3-2-5-4-10-6(9)11-5/h5H,2-4H2,1H3
InChIKeyIVISZSKZLGOGCX-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
CID 102323538
4-butyl-1,3-dioxolan-2-one
CID 162009451
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
CID 58831256
CID 58831256
4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one
CID 144590416
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941

Frequently Asked Questions

What is the IUPAC name of 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one (CID 123515532) is 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one is C[Si](Cl)(Cl)CCC1COC(=O)O1.
What is the InChIKey of 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one?
The InChIKey is IVISZSKZLGOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O3Si/c1-12(7,8)3-2-5-4-10-6(9)11-5/h5H,2-4H2,1H3.
What are the key properties of 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one?
4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one has a molecular weight of 229.13 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 123515532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).