methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate

C11H21NO3 — CID 126599484

IUPACmethyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)C1CC(C)OC(C)C1
InChIInChI=1S/C11H21NO3/c1-7-5-10(6-8(2)15-7)9(3)12-11(13)14-4/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyXWIQRZQEUJLJPC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.93
Rot. Bonds2

About methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate

methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate (PubChem CID 126599484) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate
PubChem CID126599484
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)C1CC(C)OC(C)C1
InChIInChI=1S/C11H21NO3/c1-7-5-10(6-8(2)15-7)9(3)12-11(13)14-4/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyXWIQRZQEUJLJPC-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate?
The IUPAC name of methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate (CID 126599484) is methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate is COC(=O)NC(C)C1CC(C)OC(C)C1.
What is the InChIKey of methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate?
The InChIKey is XWIQRZQEUJLJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-5-10(6-8(2)15-7)9(3)12-11(13)14-4/h7-10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate?
methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate is sourced from PubChem (CID 126599484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).