CID 173373039

C9H19O2Sn — CID 173373039

IUPAC—
SMILESC=CC(=O)O.CC[Sn](CC)CC
InChIInChI=1S/C3H4O2.3C2H5.Sn/c1-2-3(4)5;3*1-2;/h2H,1H2,(H,4,5);3*1H2,2H3;
InChIKeyGEMPULBXAHKJLY-UHFFFAOYSA-N
MW277.96 g/mol
LogP2.80
Rot. Bonds4

About CID 173373039

CID 173373039 (PubChem CID 173373039) has the molecular formula C9H19O2Sn and a molecular weight of 277.96 g/mol.

Molecular Properties

Compound NameCID 173373039
PubChem CID173373039
Molecular FormulaC9H19O2Sn
Molecular Weight277.96 g/mol
Exact Mass279.04
IUPAC Name—
SMILESC=CC(=O)O.CC[Sn](CC)CC
InChIInChI=1S/C3H4O2.3C2H5.Sn/c1-2-3(4)5;3*1-2;/h2H,1H2,(H,4,5);3*1H2,2H3;
InChIKeyGEMPULBXAHKJLY-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.96
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173373039?
The IUPAC name of CID 173373039 (CID 173373039) is not available.
What is the SMILES notation for CID 173373039?
The canonical SMILES for CID 173373039 is C=CC(=O)O.CC[Sn](CC)CC.
What is the InChIKey of CID 173373039?
The InChIKey is GEMPULBXAHKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.3C2H5.Sn/c1-2-3(4)5;3*1-2;/h2H,1H2,(H,4,5);3*1H2,2H3;.
What are the key properties of CID 173373039?
CID 173373039 has a molecular weight of 277.96 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173373039 is sourced from PubChem (CID 173373039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).