CID 170847809

C18H36O4Sn — CID 170847809

IUPAC—
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
InChIInChI=1S/2C5H10O2.2C4H9.Sn/c2*1-5(2,3)4(6)7;2*1-3-4-2;/h2*1-3H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyAPMYSCLROMMTBL-UHFFFAOYSA-L
MW435.19 g/mol
LogP2.43
Rot. Bonds2

About CID 170847809

CID 170847809 (PubChem CID 170847809) has the molecular formula C18H36O4Sn and a molecular weight of 435.19 g/mol.

Molecular Properties

Compound NameCID 170847809
PubChem CID170847809
Molecular FormulaC18H36O4Sn
Molecular Weight435.19 g/mol
Exact Mass436.16
IUPAC Name—
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
InChIInChI=1S/2C5H10O2.2C4H9.Sn/c2*1-5(2,3)4(6)7;2*1-3-4-2;/h2*1-3H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyAPMYSCLROMMTBL-UHFFFAOYSA-L
XLogP2.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

iodanium 2,2-dimethylpropanoate
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(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
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CID 102008285
CID 101288470
CID 101288470
decyl(dimethyl)azanium;2,2-dimethylpropanoate
CID 87523639
2,2-dimethylpropanoate;ethyl-di(propan-2-yl)azanium
CID 87298989
silver 2,2-dimethylpentanoate
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bis(2,2-dimethyloctanoate);tin(2+) dihydride
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Frequently Asked Questions

What is the IUPAC name of CID 170847809?
The IUPAC name of CID 170847809 (CID 170847809) is not available.
What is the SMILES notation for CID 170847809?
The canonical SMILES for CID 170847809 is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2].
What is the InChIKey of CID 170847809?
The InChIKey is APMYSCLROMMTBL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.2C4H9.Sn/c2*1-5(2,3)4(6)7;2*1-3-4-2;/h2*1-3H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of CID 170847809?
CID 170847809 has a molecular weight of 435.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170847809 is sourced from PubChem (CID 170847809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).