methyl 2-chloropropanoate;stannane

C4H11ClO2Sn — CID 173428193

IUPACmethyl 2-chloropropanoate;stannane
SMILESCOC(=O)C(C)Cl.[SnH4]
InChIInChI=1S/C4H7ClO2.Sn.4H/c1-3(5)4(6)7-2;;;;;/h3H,1-2H3;;;;;
InChIKeyKEDHIEHAKNQOGJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.66
Rot. Bonds1

About methyl 2-chloropropanoate;stannane

methyl 2-chloropropanoate;stannane (PubChem CID 173428193) has the molecular formula C4H11ClO2Sn and a molecular weight of 245.29 g/mol. Its IUPAC name is methyl 2-chloropropanoate;stannane.

Molecular Properties

Compound Namemethyl 2-chloropropanoate;stannane
PubChem CID173428193
Molecular FormulaC4H11ClO2Sn
Molecular Weight245.29 g/mol
Exact Mass245.95
IUPAC Namemethyl 2-chloropropanoate;stannane
SMILESCOC(=O)C(C)Cl.[SnH4]
InChIInChI=1S/C4H7ClO2.Sn.4H/c1-3(5)4(6)7-2;;;;;/h3H,1-2H3;;;;;
InChIKeyKEDHIEHAKNQOGJ-UHFFFAOYSA-N
XLogP-0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloropropanoate;stannane?
The IUPAC name of methyl 2-chloropropanoate;stannane (CID 173428193) is methyl 2-chloropropanoate;stannane.
What is the SMILES notation for methyl 2-chloropropanoate;stannane?
The canonical SMILES for methyl 2-chloropropanoate;stannane is COC(=O)C(C)Cl.[SnH4].
What is the InChIKey of methyl 2-chloropropanoate;stannane?
The InChIKey is KEDHIEHAKNQOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2.Sn.4H/c1-3(5)4(6)7-2;;;;;/h3H,1-2H3;;;;;.
What are the key properties of methyl 2-chloropropanoate;stannane?
methyl 2-chloropropanoate;stannane has a molecular weight of 245.29 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloropropanoate;stannane is sourced from PubChem (CID 173428193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).