CID 87590887

C7H15O3Sn — CID 87590887

IUPAC—
SMILESCCOC([Sn])(OCC)OCC
InChIInChI=1S/C7H15O3.Sn/c1-4-8-7(9-5-2)10-6-3;/h4-6H2,1-3H3;
InChIKeyQZNYXFDKQBPUQE-UHFFFAOYSA-N
MW265.90 g/mol
LogP0.88
Rot. Bonds6

About CID 87590887

CID 87590887 (PubChem CID 87590887) has the molecular formula C7H15O3Sn and a molecular weight of 265.90 g/mol.

Molecular Properties

Compound NameCID 87590887
PubChem CID87590887
Molecular FormulaC7H15O3Sn
Molecular Weight265.90 g/mol
Exact Mass267.00
IUPAC Name—
SMILESCCOC([Sn])(OCC)OCC
InChIInChI=1S/C7H15O3.Sn/c1-4-8-7(9-5-2)10-6-3;/h4-6H2,1-3H3;
InChIKeyQZNYXFDKQBPUQE-UHFFFAOYSA-N
XLogP0.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.90
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
triethoxymethyl-λ2-stannane
CID 173115424
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2,2,5,5-tetraethoxyhexane
CID 42611383
1,1-diethoxyethyl(triethoxy)silane
CID 175450759
2-ethoxybutan-2-yl(trimethyl)silane
CID 175267736
2-ethoxy-N-(2-ethoxypropan-2-yl)propan-2-amine
CID 22450253
2,2,2-triethoxyethyl-λ2-stannane
CID 173432159
3-ethoxypentan-3-amine
CID 87385378
1,1-diethoxypropan-1-amine
CID 22735038

Frequently Asked Questions

What is the IUPAC name of CID 87590887?
The IUPAC name of CID 87590887 (CID 87590887) is not available.
What is the SMILES notation for CID 87590887?
The canonical SMILES for CID 87590887 is CCOC([Sn])(OCC)OCC.
What is the InChIKey of CID 87590887?
The InChIKey is QZNYXFDKQBPUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3.Sn/c1-4-8-7(9-5-2)10-6-3;/h4-6H2,1-3H3;.
What are the key properties of CID 87590887?
CID 87590887 has a molecular weight of 265.90 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87590887 is sourced from PubChem (CID 87590887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).