tert-butyl N-(2-hydroxyhexyl)carbamate

C11H23NO3 — CID 130004068

IUPACtert-butyl N-(2-hydroxyhexyl)carbamate
SMILESCCCCC(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-7-9(13)8-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyLIFLBBYWSSYIHL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-(2-hydroxyhexyl)carbamate

tert-butyl N-(2-hydroxyhexyl)carbamate (PubChem CID 130004068) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyhexyl)carbamate
PubChem CID130004068
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-(2-hydroxyhexyl)carbamate
SMILESCCCCC(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-7-9(13)8-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyLIFLBBYWSSYIHL-UHFFFAOYSA-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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Related Compounds

tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
CID 102076905
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
methyl (2S,5S)-5-hydroxy-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 101344037

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyhexyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyhexyl)carbamate (CID 130004068) is tert-butyl N-(2-hydroxyhexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyhexyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyhexyl)carbamate is CCCCC(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyhexyl)carbamate?
The InChIKey is LIFLBBYWSSYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-7-9(13)8-12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(2-hydroxyhexyl)carbamate?
tert-butyl N-(2-hydroxyhexyl)carbamate 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 tert-butyl N-(2-hydroxyhexyl)carbamate is sourced from PubChem (CID 130004068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).