CID 6394316

C30H78O8Sn5 — CID 6394316

IUPAC—
SMILESCC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.O.O.[SnH].[SnH].[Sn].[Sn].[Sn]
InChIInChI=1S/6C5H12O.2H2O.5Sn.2H/c6*1-5(2,3)4-6;;;;;;;;;/h6*6H,4H2,1-3H3;2*1H2;;;;;;;
InChIKeyZRUUEQBGDZVVKC-UHFFFAOYSA-N
MW1160.50 g/mol
LogP2.06
Rot. Bonds

About CID 6394316

CID 6394316 (PubChem CID 6394316) has the molecular formula C30H78O8Sn5 and a molecular weight of 1160.50 g/mol.

Molecular Properties

Compound NameCID 6394316
PubChem CID6394316
Molecular FormulaC30H78O8Sn5
Molecular Weight1160.50 g/mol
Exact Mass1166.08
IUPAC Name—
SMILESCC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.O.O.[SnH].[SnH].[Sn].[Sn].[Sn]
InChIInChI=1S/6C5H12O.2H2O.5Sn.2H/c6*1-5(2,3)4-6;;;;;;;;;/h6*6H,4H2,1-3H3;2*1H2;;;;;;;
InChIKeyZRUUEQBGDZVVKC-UHFFFAOYSA-N
XLogP2.06
TPSA184.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.50
LogP ≤ 52.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 6394316?
The IUPAC name of CID 6394316 (CID 6394316) is not available.
What is the SMILES notation for CID 6394316?
The canonical SMILES for CID 6394316 is CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.CC(C)(C)CO.O.O.[SnH].[SnH].[Sn].[Sn].[Sn].
What is the InChIKey of CID 6394316?
The InChIKey is ZRUUEQBGDZVVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H12O.2H2O.5Sn.2H/c6*1-5(2,3)4-6;;;;;;;;;/h6*6H,4H2,1-3H3;2*1H2;;;;;;;.
What are the key properties of CID 6394316?
CID 6394316 has a molecular weight of 1160.50 g/mol, XLogP of 2.06, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6394316 is sourced from PubChem (CID 6394316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).