benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate

C18H33ClO6Sn — CID 139074648

IUPACbenzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate
SMILESC1COCCOCCOCCOCCO1.O.[CH3-].[CH3-].[Cl-].[Sn+4].[c-]1ccccc1
InChIInChI=1S/C10H20O5.C6H5.2CH3.ClH.H2O.Sn/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;1-2-4-6-5-3-1;;;;;/h1-10H2;1-5H;2*1H3;1H;1H2;/q;3*-1;;;+4/p-1
InChIKeyINFXNQFOLZUMPI-UHFFFAOYSA-M
MW499.62 g/mol
LogP-1.73
Rot. Bonds

About benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate

benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate (PubChem CID 139074648) has the molecular formula C18H33ClO6Sn and a molecular weight of 499.62 g/mol. Its IUPAC name is benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate.

Molecular Properties

Compound Namebenzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate
PubChem CID139074648
Molecular FormulaC18H33ClO6Sn
Molecular Weight499.62 g/mol
Exact Mass500.10
IUPAC Namebenzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate
SMILESC1COCCOCCOCCOCCO1.O.[CH3-].[CH3-].[Cl-].[Sn+4].[c-]1ccccc1
InChIInChI=1S/C10H20O5.C6H5.2CH3.ClH.H2O.Sn/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;1-2-4-6-5-3-1;;;;;/h1-10H2;1-5H;2*1H3;1H;1H2;/q;3*-1;;;+4/p-1
InChIKeyINFXNQFOLZUMPI-UHFFFAOYSA-M
XLogP-1.73
TPSA77.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate?
The IUPAC name of benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate (CID 139074648) is benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate.
What is the SMILES notation for benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate?
The canonical SMILES for benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate is C1COCCOCCOCCOCCO1.O.[CH3-].[CH3-].[Cl-].[Sn+4].[c-]1ccccc1.
What is the InChIKey of benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate?
The InChIKey is INFXNQFOLZUMPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O5.C6H5.2CH3.ClH.H2O.Sn/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;1-2-4-6-5-3-1;;;;;/h1-10H2;1-5H;2*1H3;1H;1H2;/q;3*-1;;;+4/p-1.
What are the key properties of benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate?
benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate has a molecular weight of 499.62 g/mol, XLogP of -1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;1,4,7,10,13-pentaoxacyclopentadecane;tin(4+);chloride;hydrate is sourced from PubChem (CID 139074648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).