cyclopropane;[dichloro(methyl)silyl] acetate

C6H12Cl2O2Si — CID 67744148

IUPACcyclopropane;[dichloro(methyl)silyl] acetate
SMILESC1CC1.CC(=O)O[Si](C)(Cl)Cl
InChIInChI=1S/C3H6Cl2O2Si.C3H6/c1-3(6)7-8(2,4)5;1-2-3-1/h1-2H3;1-3H2
InChIKeyNMSFRNGYWFVUNL-UHFFFAOYSA-N
MW215.15 g/mol
LogP2.77
Rot. Bonds1

About cyclopropane;[dichloro(methyl)silyl] acetate

cyclopropane;[dichloro(methyl)silyl] acetate (PubChem CID 67744148) has the molecular formula C6H12Cl2O2Si and a molecular weight of 215.15 g/mol. Its IUPAC name is cyclopropane;[dichloro(methyl)silyl] acetate.

Molecular Properties

Compound Namecyclopropane;[dichloro(methyl)silyl] acetate
PubChem CID67744148
Molecular FormulaC6H12Cl2O2Si
Molecular Weight215.15 g/mol
Exact Mass214.00
IUPAC Namecyclopropane;[dichloro(methyl)silyl] acetate
SMILESC1CC1.CC(=O)O[Si](C)(Cl)Cl
InChIInChI=1S/C3H6Cl2O2Si.C3H6/c1-3(6)7-8(2,4)5;1-2-3-1/h1-2H3;1-3H2
InChIKeyNMSFRNGYWFVUNL-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;[dichloro(methyl)silyl] acetate?
The IUPAC name of cyclopropane;[dichloro(methyl)silyl] acetate (CID 67744148) is cyclopropane;[dichloro(methyl)silyl] acetate.
What is the SMILES notation for cyclopropane;[dichloro(methyl)silyl] acetate?
The canonical SMILES for cyclopropane;[dichloro(methyl)silyl] acetate is C1CC1.CC(=O)O[Si](C)(Cl)Cl.
What is the InChIKey of cyclopropane;[dichloro(methyl)silyl] acetate?
The InChIKey is NMSFRNGYWFVUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O2Si.C3H6/c1-3(6)7-8(2,4)5;1-2-3-1/h1-2H3;1-3H2.
What are the key properties of cyclopropane;[dichloro(methyl)silyl] acetate?
cyclopropane;[dichloro(methyl)silyl] acetate has a molecular weight of 215.15 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;[dichloro(methyl)silyl] acetate is sourced from PubChem (CID 67744148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).