CID 162139404

C11H14O2Sn — CID 162139404

IUPAC—
SMILESCC(C)(C)OC(=O)c1ccccc1.[Sn]
InChIInChI=1S/C11H14O2.Sn/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h4-8H,1-3H3;
InChIKeyZJSMGZVGOKQRFI-UHFFFAOYSA-N
MW296.94 g/mol
LogP2.26
Rot. Bonds1

About CID 162139404

CID 162139404 (PubChem CID 162139404) has the molecular formula C11H14O2Sn and a molecular weight of 296.94 g/mol.

Molecular Properties

Compound NameCID 162139404
PubChem CID162139404
Molecular FormulaC11H14O2Sn
Molecular Weight296.94 g/mol
Exact Mass298.00
IUPAC Name—
SMILESCC(C)(C)OC(=O)c1ccccc1.[Sn]
InChIInChI=1S/C11H14O2.Sn/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h4-8H,1-3H3;
InChIKeyZJSMGZVGOKQRFI-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.94
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70169590
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
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CID 102265108
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Frequently Asked Questions

What is the IUPAC name of CID 162139404?
The IUPAC name of CID 162139404 (CID 162139404) is not available.
What is the SMILES notation for CID 162139404?
The canonical SMILES for CID 162139404 is CC(C)(C)OC(=O)c1ccccc1.[Sn].
What is the InChIKey of CID 162139404?
The InChIKey is ZJSMGZVGOKQRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.Sn/c1-11(2,3)13-10(12)9-7-5-4-6-8-9;/h4-8H,1-3H3;.
What are the key properties of CID 162139404?
CID 162139404 has a molecular weight of 296.94 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162139404 is sourced from PubChem (CID 162139404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).