CID 87375341

C6H13O2Sn — CID 87375341

IUPAC—
SMILESCCCCCCO[Sn]=O
InChIInChI=1S/C6H13O.O.Sn/c1-2-3-4-5-6-7;;/h2-6H2,1H3;;/q-1;;+1
InChIKeyVEXUIKWPQPEHPT-UHFFFAOYSA-N
MW235.88 g/mol
LogP1.55
Rot. Bonds6

About CID 87375341

CID 87375341 (PubChem CID 87375341) has the molecular formula C6H13O2Sn and a molecular weight of 235.88 g/mol.

Molecular Properties

Compound NameCID 87375341
PubChem CID87375341
Molecular FormulaC6H13O2Sn
Molecular Weight235.88 g/mol
Exact Mass236.99
IUPAC Name—
SMILESCCCCCCO[Sn]=O
InChIInChI=1S/C6H13O.O.Sn/c1-2-3-4-5-6-7;;/h2-6H2,1H3;;/q-1;;+1
InChIKeyVEXUIKWPQPEHPT-UHFFFAOYSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.88
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of CID 87375341?
The IUPAC name of CID 87375341 (CID 87375341) is not available.
What is the SMILES notation for CID 87375341?
The canonical SMILES for CID 87375341 is CCCCCCO[Sn]=O.
What is the InChIKey of CID 87375341?
The InChIKey is VEXUIKWPQPEHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.O.Sn/c1-2-3-4-5-6-7;;/h2-6H2,1H3;;/q-1;;+1.
What are the key properties of CID 87375341?
CID 87375341 has a molecular weight of 235.88 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87375341 is sourced from PubChem (CID 87375341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).