CID 87133310

C4H9ClSn — CID 87133310

IUPAC—
SMILESCCCCCl.[Sn]
InChIInChI=1S/C4H9Cl.Sn/c1-2-3-4-5;/h2-4H2,1H3;
InChIKeyUETIKOURPPBJCI-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.64
Rot. Bonds2

About CID 87133310

CID 87133310 (PubChem CID 87133310) has the molecular formula C4H9ClSn and a molecular weight of 211.28 g/mol.

Molecular Properties

Compound NameCID 87133310
PubChem CID87133310
Molecular FormulaC4H9ClSn
Molecular Weight211.28 g/mol
Exact Mass211.94
IUPAC Name—
SMILESCCCCCl.[Sn]
InChIInChI=1S/C4H9Cl.Sn/c1-2-3-4-5;/h2-4H2,1H3;
InChIKeyUETIKOURPPBJCI-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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alumane;1-chloropentane;hydrate
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CID 87162953
CID 87162953

Frequently Asked Questions

What is the IUPAC name of CID 87133310?
The IUPAC name of CID 87133310 (CID 87133310) is not available.
What is the SMILES notation for CID 87133310?
The canonical SMILES for CID 87133310 is CCCCCl.[Sn].
What is the InChIKey of CID 87133310?
The InChIKey is UETIKOURPPBJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.Sn/c1-2-3-4-5;/h2-4H2,1H3;.
What are the key properties of CID 87133310?
CID 87133310 has a molecular weight of 211.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87133310 is sourced from PubChem (CID 87133310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).