(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate

C11H23NO3 — CID 141116267

IUPAC(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate
SMILESCC(O)CC(C)(C)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(13)7-11(5,6)15-9(14)12-10(2,3)4/h8,13H,7H2,1-6H3,(H,12,14)
InChIKeySKHRVSCZVDZAKH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds3

About (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate

(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate (PubChem CID 141116267) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate
PubChem CID141116267
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate
SMILESCC(O)CC(C)(C)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(13)7-11(5,6)15-9(14)12-10(2,3)4/h8,13H,7H2,1-6H3,(H,12,14)
InChIKeySKHRVSCZVDZAKH-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 (4-hydroxy-2-methylbutan-2-yl)carbamate
CID 15473340
Tert-butyl 5-hydroxy-2-methylpentan-2-ylcarbamate
CID 21196030
tert-butyl N-(3-hydroxy-1-methylcyclobutyl)carbamate
CID 58773809
tert-butyl N-(3-hydroxy-2-methylbutan-2-yl)carbamate
CID 86730181
tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate
CID 115071732
2-t-Butoxycarbonylamino-2-ethylpropane-1,3-diol
CID 22279696
[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate
CID 142733178
tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate
CID 10750671
tert-butyl N-(4-hydroxy-2-methylpentan-2-yl)carbamate
CID 15531809
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
tert-butyl N-(2-ethyl-1-hydroxybutan-2-yl)carbamate
CID 62517962
tert-butyl N-(1-hydroxy-2-methylpentan-2-yl)carbamate
CID 71437795

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate (CID 141116267) is (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate is CC(O)CC(C)(C)OC(=O)NC(C)(C)C.
What is the InChIKey of (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate?
The InChIKey is SKHRVSCZVDZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(13)7-11(5,6)15-9(14)12-10(2,3)4/h8,13H,7H2,1-6H3,(H,12,14).
What are the key properties of (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate?
(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 141116267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).