octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate

C13H23NO4 — CID 123509341

IUPACoctyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
SMILESCCCCCCCCOC(=O)NC1C(=O)OC1C
InChIInChI=1S/C13H23NO4/c1-3-4-5-6-7-8-9-17-13(16)14-11-10(2)18-12(11)15/h10-11H,3-9H2,1-2H3,(H,14,16)
InChIKeyUFAXFDBCZPKKDX-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.39
Rot. Bonds8

About octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate

octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate (PubChem CID 123509341) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate.

Molecular Properties

Compound Nameoctyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
PubChem CID123509341
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameoctyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
SMILESCCCCCCCCOC(=O)NC1C(=O)OC1C
InChIInChI=1S/C13H23NO4/c1-3-4-5-6-7-8-9-17-13(16)14-11-10(2)18-12(11)15/h10-11H,3-9H2,1-2H3,(H,14,16)
InChIKeyUFAXFDBCZPKKDX-UHFFFAOYSA-N
XLogP2.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)ethyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
CID 86699910
octyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 147728041
heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate
CID 86282211
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
(9E,12Z)-N-[(3S,4S,5R)-4,5-dimethyl-2-oxooxolan-3-yl]octadeca-9,12-dienamide
CID 135163844
dioctyl 2,5-dioxo-3,6-dihydrofuro[3,2-b]furan-3,6-dicarboxylate
CID 144516052
octadecyl N-propylcarbamate
CID 175015942
methyl N-hexoxycarbonylcarbamate
CID 153299552

Frequently Asked Questions

What is the IUPAC name of octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate?
The IUPAC name of octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate (CID 123509341) is octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate.
What is the SMILES notation for octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate?
The canonical SMILES for octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate is CCCCCCCCOC(=O)NC1C(=O)OC1C.
What is the InChIKey of octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate?
The InChIKey is UFAXFDBCZPKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-4-5-6-7-8-9-17-13(16)14-11-10(2)18-12(11)15/h10-11H,3-9H2,1-2H3,(H,14,16).
What are the key properties of octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate?
octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate has a molecular weight of 257.33 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate is sourced from PubChem (CID 123509341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).