[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate

C11H23NO3 — CID 123431687

IUPAC[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate
SMILESCCCC[C@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-7-9(8-13)15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyRAUXDIIAZGGIQK-SECBINFHSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds5

About [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate

[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate (PubChem CID 123431687) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate
PubChem CID123431687
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate
SMILESCCCC[C@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-7-9(8-13)15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKeyRAUXDIIAZGGIQK-SECBINFHSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate (CID 123431687) is [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate is CCCC[C@H](CO)OC(=O)NC(C)(C)C.
What is the InChIKey of [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate?
The InChIKey is RAUXDIIAZGGIQK-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-7-9(8-13)15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m1/s1.
What are the key properties of [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate?
[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 123431687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).