[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate

C11H21NO3 — CID 170384040

IUPAC[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate
SMILESCC(C)[C@H]1C[C@H](OC(=O)N(C)C)CCO1
InChIInChI=1S/C11H21NO3/c1-8(2)10-7-9(5-6-14-10)15-11(13)12(3)4/h8-10H,5-7H2,1-4H3/t9-,10-/m1/s1
InChIKeySYDFETMPVCTUNU-NXEZZACHSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds2

About [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate

[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate (PubChem CID 170384040) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate
PubChem CID170384040
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate
SMILESCC(C)[C@H]1C[C@H](OC(=O)N(C)C)CCO1
InChIInChI=1S/C11H21NO3/c1-8(2)10-7-9(5-6-14-10)15-11(13)12(3)4/h8-10H,5-7H2,1-4H3/t9-,10-/m1/s1
InChIKeySYDFETMPVCTUNU-NXEZZACHSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate (CID 170384040) is [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate is CC(C)[C@H]1C[C@H](OC(=O)N(C)C)CCO1.
What is the InChIKey of [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate?
The InChIKey is SYDFETMPVCTUNU-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)10-7-9(5-6-14-10)15-11(13)12(3)4/h8-10H,5-7H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate?
[(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-propan-2-yloxan-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 170384040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).