CID 87421899

C24H51OSn — CID 87421899

IUPAC—
SMILESCCCCCCCCO[Sn](CCCCCCCC)CCCCCCCC
InChIInChI=1S/C8H17O.2C8H17.Sn/c1-2-3-4-5-6-7-8-9;2*1-3-5-7-8-6-4-2;/h2-8H2,1H3;2*1,3-8H2,2H3;/q-1;;;+1
InChIKeyFRQMZEDIOUAHDC-UHFFFAOYSA-N
MW474.38 g/mol
LogP9.08
Rot. Bonds22

About CID 87421899

CID 87421899 (PubChem CID 87421899) has the molecular formula C24H51OSn and a molecular weight of 474.38 g/mol.

Molecular Properties

Compound NameCID 87421899
PubChem CID87421899
Molecular FormulaC24H51OSn
Molecular Weight474.38 g/mol
Exact Mass475.30
IUPAC Name—
SMILESCCCCCCCCO[Sn](CCCCCCCC)CCCCCCCC
InChIInChI=1S/C8H17O.2C8H17.Sn/c1-2-3-4-5-6-7-8-9;2*1-3-5-7-8-6-4-2;/h2-8H2,1H3;2*1,3-8H2,2H3;/q-1;;;+1
InChIKeyFRQMZEDIOUAHDC-UHFFFAOYSA-N
XLogP9.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.38
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87421899 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-octoxy-oxotin
CID 87374860
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-octylperoxynonane
CID 151564626
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of CID 87421899?
The IUPAC name of CID 87421899 (CID 87421899) is not available.
What is the SMILES notation for CID 87421899?
The canonical SMILES for CID 87421899 is CCCCCCCCO[Sn](CCCCCCCC)CCCCCCCC.
What is the InChIKey of CID 87421899?
The InChIKey is FRQMZEDIOUAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.2C8H17.Sn/c1-2-3-4-5-6-7-8-9;2*1-3-5-7-8-6-4-2;/h2-8H2,1H3;2*1,3-8H2,2H3;/q-1;;;+1.
What are the key properties of CID 87421899?
CID 87421899 has a molecular weight of 474.38 g/mol, XLogP of 9.08, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87421899 is sourced from PubChem (CID 87421899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).