tert-butyl N-(oxan-2-yloxy)carbamate

C10H19NO4 — CID 11790630

IUPACtert-butyl N-(oxan-2-yloxy)carbamate
SMILESCC(C)(C)OC(=O)NOC1CCCCO1
InChIInChI=1S/C10H19NO4/c1-10(2,3)14-9(12)11-15-8-6-4-5-7-13-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXXRAKEAXWVZFMW-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.97
Rot. Bonds2

About tert-butyl N-(oxan-2-yloxy)carbamate

tert-butyl N-(oxan-2-yloxy)carbamate (PubChem CID 11790630) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-(oxan-2-yloxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxan-2-yloxy)carbamate
PubChem CID11790630
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-(oxan-2-yloxy)carbamate
SMILESCC(C)(C)OC(=O)NOC1CCCCO1
InChIInChI=1S/C10H19NO4/c1-10(2,3)14-9(12)11-15-8-6-4-5-7-13-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXXRAKEAXWVZFMW-UHFFFAOYSA-N
XLogP1.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 56800960
(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 94820955
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
2-cyclohexyloxy-N-(oxan-2-yloxy)propanamide
CID 91642782
(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
CID 139893645
N-(oxan-2-yloxy)hexanamide
CID 142707517
ethyl (2R)-2-methyl-2-(methylamino)-3-(oxan-2-yloxyamino)-3-oxopropanoate
CID 130238694
(2S,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 175727284
(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124743441

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxan-2-yloxy)carbamate?
The IUPAC name of tert-butyl N-(oxan-2-yloxy)carbamate (CID 11790630) is tert-butyl N-(oxan-2-yloxy)carbamate.
What is the SMILES notation for tert-butyl N-(oxan-2-yloxy)carbamate?
The canonical SMILES for tert-butyl N-(oxan-2-yloxy)carbamate is CC(C)(C)OC(=O)NOC1CCCCO1.
What is the InChIKey of tert-butyl N-(oxan-2-yloxy)carbamate?
The InChIKey is XXRAKEAXWVZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)14-9(12)11-15-8-6-4-5-7-13-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(oxan-2-yloxy)carbamate?
tert-butyl N-(oxan-2-yloxy)carbamate has a molecular weight of 217.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxan-2-yloxy)carbamate is sourced from PubChem (CID 11790630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).