dicyclohexyltin;dihydrate

C12H26O2Sn — CID 77168287

IUPACdicyclohexyltin;dihydrate
SMILESC1CCC([Sn]C2CCCCC2)CC1.O.O
InChIInChI=1S/2C6H11.2H2O.Sn/c2*1-2-4-6-5-3-1;;;/h2*1H,2-6H2;2*1H2;
InChIKeyRQTKZBBGVTVELW-UHFFFAOYSA-N
MW321.05 g/mol
LogP2.55
Rot. Bonds2

About dicyclohexyltin;dihydrate

dicyclohexyltin;dihydrate (PubChem CID 77168287) has the molecular formula C12H26O2Sn and a molecular weight of 321.05 g/mol. Its IUPAC name is dicyclohexyltin;dihydrate.

Molecular Properties

Compound Namedicyclohexyltin;dihydrate
PubChem CID77168287
Molecular FormulaC12H26O2Sn
Molecular Weight321.05 g/mol
Exact Mass322.10
IUPAC Namedicyclohexyltin;dihydrate
SMILESC1CCC([Sn]C2CCCCC2)CC1.O.O
InChIInChI=1S/2C6H11.2H2O.Sn/c2*1-2-4-6-5-3-1;;;/h2*1H,2-6H2;2*1H2;
InChIKeyRQTKZBBGVTVELW-UHFFFAOYSA-N
XLogP2.55
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.05
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyltin;dihydrate?
The IUPAC name of dicyclohexyltin;dihydrate (CID 77168287) is dicyclohexyltin;dihydrate.
What is the SMILES notation for dicyclohexyltin;dihydrate?
The canonical SMILES for dicyclohexyltin;dihydrate is C1CCC([Sn]C2CCCCC2)CC1.O.O.
What is the InChIKey of dicyclohexyltin;dihydrate?
The InChIKey is RQTKZBBGVTVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11.2H2O.Sn/c2*1-2-4-6-5-3-1;;;/h2*1H,2-6H2;2*1H2;.
What are the key properties of dicyclohexyltin;dihydrate?
dicyclohexyltin;dihydrate has a molecular weight of 321.05 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyltin;dihydrate is sourced from PubChem (CID 77168287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).