octyl-oxo-phenoxytin

C14H22O2Sn — CID 141144042

IUPACoctyl-oxo-phenoxytin
SMILESCCCCCCCC[Sn](=O)Oc1ccccc1
InChIInChI=1S/C8H17.C6H6O.O.Sn/c1-3-5-7-8-6-4-2;7-6-4-2-1-3-5-6;;/h1,3-8H2,2H3;1-5,7H;;/q;;;+1/p-1
InChIKeyOLQRQHBXPNTXIH-UHFFFAOYSA-M
MW341.04 g/mol
LogP4.34
Rot. Bonds9

About octyl-oxo-phenoxytin

octyl-oxo-phenoxytin (PubChem CID 141144042) has the molecular formula C14H22O2Sn and a molecular weight of 341.04 g/mol. Its IUPAC name is octyl-oxo-phenoxytin.

Molecular Properties

Compound Nameoctyl-oxo-phenoxytin
PubChem CID141144042
Molecular FormulaC14H22O2Sn
Molecular Weight341.04 g/mol
Exact Mass342.06
IUPAC Nameoctyl-oxo-phenoxytin
SMILESCCCCCCCC[Sn](=O)Oc1ccccc1
InChIInChI=1S/C8H17.C6H6O.O.Sn/c1-3-5-7-8-6-4-2;7-6-4-2-1-3-5-6;;/h1,3-8H2,2H3;1-5,7H;;/q;;;+1/p-1
InChIKeyOLQRQHBXPNTXIH-UHFFFAOYSA-M
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.04
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl-oxo-phenylmethoxycarbonyloxytin
CID 141184681
1-nonoxypropan-2-yloxybenzene
CID 154296421
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl triacontanoate
CID 54018873
phenyl (E)-triacont-2-enoate
CID 23321595
phenyl docos-2-enoate
CID 54459055
hexatriacontoxymethoxybenzene
CID 21131247

Frequently Asked Questions

What is the IUPAC name of octyl-oxo-phenoxytin?
The IUPAC name of octyl-oxo-phenoxytin (CID 141144042) is octyl-oxo-phenoxytin.
What is the SMILES notation for octyl-oxo-phenoxytin?
The canonical SMILES for octyl-oxo-phenoxytin is CCCCCCCC[Sn](=O)Oc1ccccc1.
What is the InChIKey of octyl-oxo-phenoxytin?
The InChIKey is OLQRQHBXPNTXIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17.C6H6O.O.Sn/c1-3-5-7-8-6-4-2;7-6-4-2-1-3-5-6;;/h1,3-8H2,2H3;1-5,7H;;/q;;;+1/p-1.
What are the key properties of octyl-oxo-phenoxytin?
octyl-oxo-phenoxytin has a molecular weight of 341.04 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl-oxo-phenoxytin is sourced from PubChem (CID 141144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).