naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium

C23H34O2Sn — CID 69050098

IUPACnaphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium
SMILESCC(C)C[Sn+](CC(C)C)CC(C)C.O=C([O-])c1cccc2ccccc12
InChIInChI=1S/C11H8O2.3C4H9.Sn/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;3*1-4(2)3;/h1-7H,(H,12,13);3*4H,1H2,2-3H3;/q;;;;+1/p-1
InChIKeyNMHIHLLYCFFOFA-UHFFFAOYSA-M
MW461.23 g/mol
LogP5.65
Rot. Bonds7

About naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium

naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium (PubChem CID 69050098) has the molecular formula C23H34O2Sn and a molecular weight of 461.23 g/mol. Its IUPAC name is naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium.

Molecular Properties

Compound Namenaphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium
PubChem CID69050098
Molecular FormulaC23H34O2Sn
Molecular Weight461.23 g/mol
Exact Mass462.16
IUPAC Namenaphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium
SMILESCC(C)C[Sn+](CC(C)C)CC(C)C.O=C([O-])c1cccc2ccccc12
InChIInChI=1S/C11H8O2.3C4H9.Sn/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;3*1-4(2)3;/h1-7H,(H,12,13);3*4H,1H2,2-3H3;/q;;;;+1/p-1
InChIKeyNMHIHLLYCFFOFA-UHFFFAOYSA-M
XLogP5.65
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.23
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-naphthalen-1-yl-3-oxopropanoate
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium?
The IUPAC name of naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium (CID 69050098) is naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium.
What is the SMILES notation for naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium?
The canonical SMILES for naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium is CC(C)C[Sn+](CC(C)C)CC(C)C.O=C([O-])c1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium?
The InChIKey is NMHIHLLYCFFOFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O2.3C4H9.Sn/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;3*1-4(2)3;/h1-7H,(H,12,13);3*4H,1H2,2-3H3;/q;;;;+1/p-1.
What are the key properties of naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium?
naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium has a molecular weight of 461.23 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium is sourced from PubChem (CID 69050098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).