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111300-06-2 molecular structure
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tert-butyl N-[(1r,4r*)-4-hydroxycyclohexyl]carbamate

ChemBase ID: 796691
Molecular Formular: C11H21NO3
Molecular Mass: 215.28934
Monoisotopic Mass: 215.15214354
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](CC1)O
Canonical SMILES:
O[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-
InChIKey:
DQARDWKWPIRJEH-KYZUINATSA-N

Cite this record

CBID:796691 http://www.chembase.cn/molecule-796691.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(1r,4r*)-4-hydroxycyclohexyl]carbamate
IUPAC Traditional name
tert-butyl N-[(1r,4r*)-4-hydroxycyclohexyl]carbamate
Synonyms
tert-Butyl (trans-4-hydroxycyclohexyl)carbaMate
CAS Number
111300-06-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3941 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3941 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.947499  H Acceptors
H Donor LogD (pH = 5.5) 1.2791905 
LogD (pH = 7.4) 1.2791905  Log P 1.2791905 
Molar Refractivity 57.4755 cm3 Polarizability 22.806097 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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