2-chloro-2-ethyl-1,3,6,2-dioxazastannocane

C6H14ClNO2Sn — CID 16683496

IUPAC2-chloro-2-ethyl-1,3,6,2-dioxazastannocane
SMILESCC[Sn]1(Cl)OCCNCCO1
InChIInChI=1S/C4H9NO2.C2H5.ClH.Sn/c6-3-1-5-2-4-7;1-2;;/h5H,1-4H2;1H2,2H3;1H;/q-2;;;+3/p-1
InChIKeyDRXCPIPNCNABIU-UHFFFAOYSA-M
MW286.35 g/mol
LogP0.82
Rot. Bonds1

About 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane

2-chloro-2-ethyl-1,3,6,2-dioxazastannocane (PubChem CID 16683496) has the molecular formula C6H14ClNO2Sn and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane.

Molecular Properties

Compound Name2-chloro-2-ethyl-1,3,6,2-dioxazastannocane
PubChem CID16683496
Molecular FormulaC6H14ClNO2Sn
Molecular Weight286.35 g/mol
Exact Mass286.97
IUPAC Name2-chloro-2-ethyl-1,3,6,2-dioxazastannocane
SMILESCC[Sn]1(Cl)OCCNCCO1
InChIInChI=1S/C4H9NO2.C2H5.ClH.Sn/c6-3-1-5-2-4-7;1-2;;/h5H,1-4H2;1H2,2H3;1H;/q-2;;;+3/p-1
InChIKeyDRXCPIPNCNABIU-UHFFFAOYSA-M
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane?
The IUPAC name of 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane (CID 16683496) is 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane.
What is the SMILES notation for 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane?
The canonical SMILES for 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane is CC[Sn]1(Cl)OCCNCCO1.
What is the InChIKey of 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane?
The InChIKey is DRXCPIPNCNABIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2.C2H5.ClH.Sn/c6-3-1-5-2-4-7;1-2;;/h5H,1-4H2;1H2,2H3;1H;/q-2;;;+3/p-1.
What are the key properties of 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane?
2-chloro-2-ethyl-1,3,6,2-dioxazastannocane has a molecular weight of 286.35 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-ethyl-1,3,6,2-dioxazastannocane is sourced from PubChem (CID 16683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).