oxiran-2-ylmethyl N-decylcarbamate

C14H27NO3 — CID 102421283

IUPACoxiran-2-ylmethyl N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)OCC1CO1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-15-14(16)18-12-13-11-17-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyZDHXXXRMVJBIFY-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.25
Rot. Bonds11

About oxiran-2-ylmethyl N-decylcarbamate

oxiran-2-ylmethyl N-decylcarbamate (PubChem CID 102421283) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-decylcarbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-decylcarbamate
PubChem CID102421283
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameoxiran-2-ylmethyl N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)OCC1CO1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-15-14(16)18-12-13-11-17-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyZDHXXXRMVJBIFY-UHFFFAOYSA-N
XLogP3.25
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydroxymethyl)oxetan-2-yl]methyl N-octadecylcarbamate
CID 21463379
oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate
CID 161131339
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
[4-(pyridin-2-ylmethylcarbamoyloxymethyl)-1,3-dioxolan-2-yl]methyl N-pentadecylcarbamate
CID 54369278
oxiran-2-yl N-[6-[bis[6-(oxiran-2-ylmethoxycarbonylamino)hexylcarbamoyl]amino]hexyl]carbamate
CID 59456238
chloromethyl N-decylcarbamate
CID 177224854
azane;octyl N-octylcarbamate
CID 175531380
oxiran-2-ylmethyl N-[6-[1,3-bis[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]-2,4,6-trioxo-1,3-diazinan-5-yl]hexyl]carbamate
CID 118474329

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-decylcarbamate?
The IUPAC name of oxiran-2-ylmethyl N-decylcarbamate (CID 102421283) is oxiran-2-ylmethyl N-decylcarbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-decylcarbamate?
The canonical SMILES for oxiran-2-ylmethyl N-decylcarbamate is CCCCCCCCCCNC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl N-decylcarbamate?
The InChIKey is ZDHXXXRMVJBIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-15-14(16)18-12-13-11-17-13/h13H,2-12H2,1H3,(H,15,16).
What are the key properties of oxiran-2-ylmethyl N-decylcarbamate?
oxiran-2-ylmethyl N-decylcarbamate has a molecular weight of 257.37 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-decylcarbamate is sourced from PubChem (CID 102421283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).