CID 88807470

C5H9O2Sn — CID 88807470

IUPAC—
SMILESCCOC(=O)CC[Sn]
InChIInChI=1S/C5H9O2.Sn/c1-3-5(6)7-4-2;/h1,3-4H2,2H3;
InChIKeyWVTYGNGEWZZKJL-UHFFFAOYSA-N
MW219.84 g/mol
LogP0.53
Rot. Bonds3

About CID 88807470

CID 88807470 (PubChem CID 88807470) has the molecular formula C5H9O2Sn and a molecular weight of 219.84 g/mol.

Molecular Properties

Compound NameCID 88807470
PubChem CID88807470
Molecular FormulaC5H9O2Sn
Molecular Weight219.84 g/mol
Exact Mass220.96
IUPAC Name—
SMILESCCOC(=O)CC[Sn]
InChIInChI=1S/C5H9O2.Sn/c1-3-5(6)7-4-2;/h1,3-4H2,2H3;
InChIKeyWVTYGNGEWZZKJL-UHFFFAOYSA-N
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.84
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
diethyl hexanedioate
CID 160747628
butane-2,3-dione;ethyl butanoate
CID 158568600
ethyl butanoate;ethyl propanoate
CID 159309203
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
ethyl hexanoate;rhodium
CID 87383837
ethyl undecanoate
CID 12327
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;nickel(2+)
CID 162067155

Frequently Asked Questions

What is the IUPAC name of CID 88807470?
The IUPAC name of CID 88807470 (CID 88807470) is not available.
What is the SMILES notation for CID 88807470?
The canonical SMILES for CID 88807470 is CCOC(=O)CC[Sn].
What is the InChIKey of CID 88807470?
The InChIKey is WVTYGNGEWZZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.Sn/c1-3-5(6)7-4-2;/h1,3-4H2,2H3;.
What are the key properties of CID 88807470?
CID 88807470 has a molecular weight of 219.84 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88807470 is sourced from PubChem (CID 88807470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).