methyl-octoxy-oxotin

C9H20O2Sn — CID 87374860

IUPACmethyl-octoxy-oxotin
SMILESCCCCCCCCO[Sn](C)=O
InChIInChI=1S/C8H17O.CH3.O.Sn/c1-2-3-4-5-6-7-8-9;;;/h2-8H2,1H3;1H3;;/q-1;;;+1
InChIKeyMWKSZECTFDXJMS-UHFFFAOYSA-N
MW278.97 g/mol
LogP2.91
Rot. Bonds8

About methyl-octoxy-oxotin

methyl-octoxy-oxotin (PubChem CID 87374860) has the molecular formula C9H20O2Sn and a molecular weight of 278.97 g/mol. Its IUPAC name is methyl-octoxy-oxotin.

Molecular Properties

Compound Namemethyl-octoxy-oxotin
PubChem CID87374860
Molecular FormulaC9H20O2Sn
Molecular Weight278.97 g/mol
Exact Mass280.05
IUPAC Namemethyl-octoxy-oxotin
SMILESCCCCCCCCO[Sn](C)=O
InChIInChI=1S/C8H17O.CH3.O.Sn/c1-2-3-4-5-6-7-8-9;;;/h2-8H2,1H3;1H3;;/q-1;;;+1
InChIKeyMWKSZECTFDXJMS-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.97
LogP ≤ 52.91
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

CID 87421899
CID 87421899
nonoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 87370939
decane;ruthenium
CID 160818595
decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin
CID 87370856
nonoxy-oxo-(2,3,4-trifluorobutyl)tin
CID 87370940
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of methyl-octoxy-oxotin?
The IUPAC name of methyl-octoxy-oxotin (CID 87374860) is methyl-octoxy-oxotin.
What is the SMILES notation for methyl-octoxy-oxotin?
The canonical SMILES for methyl-octoxy-oxotin is CCCCCCCCO[Sn](C)=O.
What is the InChIKey of methyl-octoxy-oxotin?
The InChIKey is MWKSZECTFDXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.CH3.O.Sn/c1-2-3-4-5-6-7-8-9;;;/h2-8H2,1H3;1H3;;/q-1;;;+1.
What are the key properties of methyl-octoxy-oxotin?
methyl-octoxy-oxotin has a molecular weight of 278.97 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-octoxy-oxotin is sourced from PubChem (CID 87374860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).