methyl propanoate;trichlorostannane

C4H9Cl3O2Sn — CID 174538862

IUPACmethyl propanoate;trichlorostannane
SMILESCCC(=O)OC.Cl[SnH](Cl)Cl
InChIInChI=1S/C4H8O2.3ClH.Sn.H/c1-3-4(5)6-2;;;;;/h3H2,1-2H3;3*1H;;/q;;;;+3;/p-3
InChIKeyAKHRIWIHEJUQDK-UHFFFAOYSA-K
MW314.18 g/mol
LogP1.99
Rot. Bonds1

About methyl propanoate;trichlorostannane

methyl propanoate;trichlorostannane (PubChem CID 174538862) has the molecular formula C4H9Cl3O2Sn and a molecular weight of 314.18 g/mol. Its IUPAC name is methyl propanoate;trichlorostannane.

Molecular Properties

Compound Namemethyl propanoate;trichlorostannane
PubChem CID174538862
Molecular FormulaC4H9Cl3O2Sn
Molecular Weight314.18 g/mol
Exact Mass313.87
IUPAC Namemethyl propanoate;trichlorostannane
SMILESCCC(=O)OC.Cl[SnH](Cl)Cl
InChIInChI=1S/C4H8O2.3ClH.Sn.H/c1-3-4(5)6-2;;;;;/h3H2,1-2H3;3*1H;;/q;;;;+3;/p-3
InChIKeyAKHRIWIHEJUQDK-UHFFFAOYSA-K
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl propanoate;trichlorostannane?
The IUPAC name of methyl propanoate;trichlorostannane (CID 174538862) is methyl propanoate;trichlorostannane.
What is the SMILES notation for methyl propanoate;trichlorostannane?
The canonical SMILES for methyl propanoate;trichlorostannane is CCC(=O)OC.Cl[SnH](Cl)Cl.
What is the InChIKey of methyl propanoate;trichlorostannane?
The InChIKey is AKHRIWIHEJUQDK-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H8O2.3ClH.Sn.H/c1-3-4(5)6-2;;;;;/h3H2,1-2H3;3*1H;;/q;;;;+3;/p-3.
What are the key properties of methyl propanoate;trichlorostannane?
methyl propanoate;trichlorostannane has a molecular weight of 314.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propanoate;trichlorostannane is sourced from PubChem (CID 174538862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).