(4-ethoxycarbonylphenyl)-λ2-stannane

C9H10O2Sn — CID 173440121

IUPAC(4-ethoxycarbonylphenyl)-λ2-stannane
SMILESCCOC(=O)c1ccc([SnH])cc1
InChIInChI=1S/C9H9O2.Sn.H/c1-2-11-9(10)8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;;
InChIKeyIMQCOYAOXUDPKG-UHFFFAOYSA-N
MW268.89 g/mol
LogP0.39
Rot. Bonds2

About (4-ethoxycarbonylphenyl)-λ2-stannane

(4-ethoxycarbonylphenyl)-λ2-stannane (PubChem CID 173440121) has the molecular formula C9H10O2Sn and a molecular weight of 268.89 g/mol. Its IUPAC name is (4-ethoxycarbonylphenyl)-λ2-stannane.

Molecular Properties

Compound Name(4-ethoxycarbonylphenyl)-λ2-stannane
PubChem CID173440121
Molecular FormulaC9H10O2Sn
Molecular Weight268.89 g/mol
Exact Mass269.97
IUPAC Name(4-ethoxycarbonylphenyl)-λ2-stannane
SMILESCCOC(=O)c1ccc([SnH])cc1
InChIInChI=1S/C9H9O2.Sn.H/c1-2-11-9(10)8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;;
InChIKeyIMQCOYAOXUDPKG-UHFFFAOYSA-N
XLogP0.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.89
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
[amino-(4-ethoxycarbonylphenyl)methylidene]azanium chloride
CID 67790291
CID 158970570
CID 158970570
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
ethyl 4-difluoroboranylbenzoate
CID 59157456

Frequently Asked Questions

What is the IUPAC name of (4-ethoxycarbonylphenyl)-λ2-stannane?
The IUPAC name of (4-ethoxycarbonylphenyl)-λ2-stannane (CID 173440121) is (4-ethoxycarbonylphenyl)-λ2-stannane.
What is the SMILES notation for (4-ethoxycarbonylphenyl)-λ2-stannane?
The canonical SMILES for (4-ethoxycarbonylphenyl)-λ2-stannane is CCOC(=O)c1ccc([SnH])cc1.
What is the InChIKey of (4-ethoxycarbonylphenyl)-λ2-stannane?
The InChIKey is IMQCOYAOXUDPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.Sn.H/c1-2-11-9(10)8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;;.
What are the key properties of (4-ethoxycarbonylphenyl)-λ2-stannane?
(4-ethoxycarbonylphenyl)-λ2-stannane has a molecular weight of 268.89 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycarbonylphenyl)-λ2-stannane is sourced from PubChem (CID 173440121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).