3-tert-butyl-1,7,3,2-dioxazalumecane

C10H22AlNO2 — CID 156656275

IUPAC3-tert-butyl-1,7,3,2-dioxazalumecane
SMILESCC(C)(C)N1CCCOCCCO[AlH]1
InChIInChI=1S/C10H21NO2.Al.H/c1-10(2,3)11-6-4-8-13-9-5-7-12;;/h4-9H2,1-3H3;;/q-2;+2;
InChIKeyZVVASEAAZJUKAH-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.18
Rot. Bonds

About 3-tert-butyl-1,7,3,2-dioxazalumecane

3-tert-butyl-1,7,3,2-dioxazalumecane (PubChem CID 156656275) has the molecular formula C10H22AlNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-tert-butyl-1,7,3,2-dioxazalumecane.

Molecular Properties

Compound Name3-tert-butyl-1,7,3,2-dioxazalumecane
PubChem CID156656275
Molecular FormulaC10H22AlNO2
Molecular Weight215.27 g/mol
Exact Mass215.15
IUPAC Name3-tert-butyl-1,7,3,2-dioxazalumecane
SMILESCC(C)(C)N1CCCOCCCO[AlH]1
InChIInChI=1S/C10H21NO2.Al.H/c1-10(2,3)11-6-4-8-13-9-5-7-12;;/h4-9H2,1-3H3;;/q-2;+2;
InChIKeyZVVASEAAZJUKAH-UHFFFAOYSA-N
XLogP1.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62972933
chloromethane;oxolane;zinc
CID 159082038
7-methyl-1,4,7-dioxazecane
CID 59020799
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CID 57301157
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
sodium;2-methylpropan-2-olate;oxolane
CID 86662483
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CID 174249769

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,7,3,2-dioxazalumecane?
The IUPAC name of 3-tert-butyl-1,7,3,2-dioxazalumecane (CID 156656275) is 3-tert-butyl-1,7,3,2-dioxazalumecane.
What is the SMILES notation for 3-tert-butyl-1,7,3,2-dioxazalumecane?
The canonical SMILES for 3-tert-butyl-1,7,3,2-dioxazalumecane is CC(C)(C)N1CCCOCCCO[AlH]1.
What is the InChIKey of 3-tert-butyl-1,7,3,2-dioxazalumecane?
The InChIKey is ZVVASEAAZJUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.Al.H/c1-10(2,3)11-6-4-8-13-9-5-7-12;;/h4-9H2,1-3H3;;/q-2;+2;.
What are the key properties of 3-tert-butyl-1,7,3,2-dioxazalumecane?
3-tert-butyl-1,7,3,2-dioxazalumecane has a molecular weight of 215.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,7,3,2-dioxazalumecane is sourced from PubChem (CID 156656275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).