CID 173037617

C6H13O2Sn — CID 173037617

IUPAC—
SMILESCCCC([Sn])(OC)OC
InChIInChI=1S/C6H13O2.Sn/c1-4-5-6(7-2)8-3;/h4-5H2,1-3H3;
InChIKeyRRUKMCBFHOWAQS-UHFFFAOYSA-N
MW235.88 g/mol
LogP0.90
Rot. Bonds4

About CID 173037617

CID 173037617 (PubChem CID 173037617) has the molecular formula C6H13O2Sn and a molecular weight of 235.88 g/mol.

Molecular Properties

Compound NameCID 173037617
PubChem CID173037617
Molecular FormulaC6H13O2Sn
Molecular Weight235.88 g/mol
Exact Mass236.99
IUPAC Name—
SMILESCCCC([Sn])(OC)OC
InChIInChI=1S/C6H13O2.Sn/c1-4-5-6(7-2)8-3;/h4-5H2,1-3H3;
InChIKeyRRUKMCBFHOWAQS-UHFFFAOYSA-N
XLogP0.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.88
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-methoxy-3-methylhexan-2-one
CID 83225432
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Frequently Asked Questions

What is the IUPAC name of CID 173037617?
The IUPAC name of CID 173037617 (CID 173037617) is not available.
What is the SMILES notation for CID 173037617?
The canonical SMILES for CID 173037617 is CCCC([Sn])(OC)OC.
What is the InChIKey of CID 173037617?
The InChIKey is RRUKMCBFHOWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2.Sn/c1-4-5-6(7-2)8-3;/h4-5H2,1-3H3;.
What are the key properties of CID 173037617?
CID 173037617 has a molecular weight of 235.88 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173037617 is sourced from PubChem (CID 173037617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).