tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen

C15H25NO5 — CID 157082570

IUPACtert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen
SMILESCC(C)(C)OC(N)=O.COc1ccccc1OCC1CO1.[H][H]
InChIInChI=1S/C10H12O3.C5H11NO2.H2/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8;1-5(2,3)8-4(6)7;/h2-5,8H,6-7H2,1H3;1-3H3,(H2,6,7);1H
InChIKeyADSJSMAILWYSCM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen

tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen (PubChem CID 157082570) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen
PubChem CID157082570
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nametert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen
SMILESCC(C)(C)OC(N)=O.COc1ccccc1OCC1CO1.[H][H]
InChIInChI=1S/C10H12O3.C5H11NO2.H2/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8;1-5(2,3)8-4(6)7;/h2-5,8H,6-7H2,1H3;1-3H3,(H2,6,7);1H
InChIKeyADSJSMAILWYSCM-UHFFFAOYSA-N
XLogP2.60
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
CID 86760859
2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
CID 102548369
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole
CID 102548676
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 86612852
4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane
CID 19762930
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
CID 66849130
CID 66849130

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen?
The IUPAC name of tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen (CID 157082570) is tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen.
What is the SMILES notation for tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen?
The canonical SMILES for tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen is CC(C)(C)OC(N)=O.COc1ccccc1OCC1CO1.[H][H].
What is the InChIKey of tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen?
The InChIKey is ADSJSMAILWYSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C5H11NO2.H2/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8;1-5(2,3)8-4(6)7;/h2-5,8H,6-7H2,1H3;1-3H3,(H2,6,7);1H.
What are the key properties of tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen?
tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen has a molecular weight of 299.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen is sourced from PubChem (CID 157082570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).