octyl-oxo-phenylmethoxycarbonyloxytin

C16H24O4Sn — CID 141184681

IUPACoctyl-oxo-phenylmethoxycarbonyloxytin
SMILESCCCCCCCC[Sn](=O)OC(=O)OCc1ccccc1
InChIInChI=1S/C8H8O3.C8H17.O.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-3-5-7-8-6-4-2;;/h1-5H,6H2,(H,9,10);1,3-8H2,2H3;;/q;;;+1/p-1
InChIKeyFNEWIWAOTZCNRP-UHFFFAOYSA-M
MW399.08 g/mol
LogP4.62
Rot. Bonds10

About octyl-oxo-phenylmethoxycarbonyloxytin

octyl-oxo-phenylmethoxycarbonyloxytin (PubChem CID 141184681) has the molecular formula C16H24O4Sn and a molecular weight of 399.08 g/mol. Its IUPAC name is octyl-oxo-phenylmethoxycarbonyloxytin.

Molecular Properties

Compound Nameoctyl-oxo-phenylmethoxycarbonyloxytin
PubChem CID141184681
Molecular FormulaC16H24O4Sn
Molecular Weight399.08 g/mol
Exact Mass400.07
IUPAC Nameoctyl-oxo-phenylmethoxycarbonyloxytin
SMILESCCCCCCCC[Sn](=O)OC(=O)OCc1ccccc1
InChIInChI=1S/C8H8O3.C8H17.O.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-3-5-7-8-6-4-2;;/h1-5H,6H2,(H,9,10);1,3-8H2,2H3;;/q;;;+1/p-1
InChIKeyFNEWIWAOTZCNRP-UHFFFAOYSA-M
XLogP4.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octyl-oxo-phenylmethoxycarbonyloxytin?
The IUPAC name of octyl-oxo-phenylmethoxycarbonyloxytin (CID 141184681) is octyl-oxo-phenylmethoxycarbonyloxytin.
What is the SMILES notation for octyl-oxo-phenylmethoxycarbonyloxytin?
The canonical SMILES for octyl-oxo-phenylmethoxycarbonyloxytin is CCCCCCCC[Sn](=O)OC(=O)OCc1ccccc1.
What is the InChIKey of octyl-oxo-phenylmethoxycarbonyloxytin?
The InChIKey is FNEWIWAOTZCNRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3.C8H17.O.Sn/c9-8(10)11-6-7-4-2-1-3-5-7;1-3-5-7-8-6-4-2;;/h1-5H,6H2,(H,9,10);1,3-8H2,2H3;;/q;;;+1/p-1.
What are the key properties of octyl-oxo-phenylmethoxycarbonyloxytin?
octyl-oxo-phenylmethoxycarbonyloxytin has a molecular weight of 399.08 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl-oxo-phenylmethoxycarbonyloxytin is sourced from PubChem (CID 141184681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).