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

C5H12ClNO2Sn — CID 16683495

IUPAC2-chloro-2-methyl-1,3,6,2-dioxazastannocane
SMILESC[Sn]1(Cl)OCCNCCO1
InChIInChI=1S/C4H9NO2.CH3.ClH.Sn/c6-3-1-5-2-4-7;;;/h5H,1-4H2;1H3;1H;/q-2;;;+3/p-1
InChIKeyWBFBMEXPABNKDU-UHFFFAOYSA-M
MW272.32 g/mol
LogP0.43
Rot. Bonds

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

2-chloro-2-methyl-1,3,6,2-dioxazastannocane (PubChem CID 16683495) has the molecular formula C5H12ClNO2Sn and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-chloro-2-methyl-1,3,6,2-dioxazastannocane.

Molecular Properties

Compound Name2-chloro-2-methyl-1,3,6,2-dioxazastannocane
PubChem CID16683495
Molecular FormulaC5H12ClNO2Sn
Molecular Weight272.32 g/mol
Exact Mass272.96
IUPAC Name2-chloro-2-methyl-1,3,6,2-dioxazastannocane
SMILESC[Sn]1(Cl)OCCNCCO1
InChIInChI=1S/C4H9NO2.CH3.ClH.Sn/c6-3-1-5-2-4-7;;;/h5H,1-4H2;1H3;1H;/q-2;;;+3/p-1
InChIKeyWBFBMEXPABNKDU-UHFFFAOYSA-M
XLogP0.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,6,2-Dioxazaborocane
CID 18401761
1,3-Dioxa-6-aza-2-germacyclooctane
CID 85693603
1,3-Dioxa-6-aza-2-silacyclooctane
CID 129652619
4H-1,6,2-Dioxazastannocine, 2-chloro-2-ethyltetrahydro-
CID 16683496
2-Ethyl-1,3,6,2-dioxazaborocane
CID 575031
2-Methyl-1,3,6,2-dioxazaborocane
CID 20769568
Magnesium 2-(2-oxidoethylamino)ethanolate
CID 22956734
1,3,6,2-Dioxazagermocane
CID 88326696
1,3,6,2-Dioxazastannocane
CID 88803424
1,3,2,6-Dioxathiazocane
CID 134217389
1,3,6,2lambda2-Dioxazastannocane
CID 136467501
1,3,2,6-Dioxathiazocan-2-ium
CID 164043692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyl-1,3,6,2-dioxazastannocane?
The IUPAC name of 2-chloro-2-methyl-1,3,6,2-dioxazastannocane (CID 16683495) is 2-chloro-2-methyl-1,3,6,2-dioxazastannocane.
What is the SMILES notation for 2-chloro-2-methyl-1,3,6,2-dioxazastannocane?
The canonical SMILES for 2-chloro-2-methyl-1,3,6,2-dioxazastannocane is C[Sn]1(Cl)OCCNCCO1.
What is the InChIKey of 2-chloro-2-methyl-1,3,6,2-dioxazastannocane?
The InChIKey is WBFBMEXPABNKDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2.CH3.ClH.Sn/c6-3-1-5-2-4-7;;;/h5H,1-4H2;1H3;1H;/q-2;;;+3/p-1.
What are the key properties of 2-chloro-2-methyl-1,3,6,2-dioxazastannocane?
2-chloro-2-methyl-1,3,6,2-dioxazastannocane has a molecular weight of 272.32 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyl-1,3,6,2-dioxazastannocane is sourced from PubChem (CID 16683495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).