(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate

C13H23NO5 — CID 70806983

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OCC1COC(=O)O1
InChIInChI=1S/C13H23NO5/c1-3-5-6-10(4-2)7-14-12(15)17-8-11-9-18-13(16)19-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPABXJEWGAASUQU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.46
Rot. Bonds8

About (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate

(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate (PubChem CID 70806983) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate
PubChem CID70806983
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OCC1COC(=O)O1
InChIInChI=1S/C13H23NO5/c1-3-5-6-10(4-2)7-14-12(15)17-8-11-9-18-13(16)19-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPABXJEWGAASUQU-UHFFFAOYSA-N
XLogP2.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate (CID 70806983) is (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate is CCCCC(CC)CNC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate?
The InChIKey is PABXJEWGAASUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-5-6-10(4-2)7-14-12(15)17-8-11-9-18-13(16)19-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate?
(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate has a molecular weight of 273.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl N-(2-ethylhexyl)carbamate is sourced from PubChem (CID 70806983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).