6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate

C12H20N2O4 — CID 90871471

IUPAC6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCOC(=O)N=CC
InChIInChI=1S/C12H20N2O4/c1-3-13-11(15)17-9-7-5-6-8-10-18-12(16)14-4-2/h3-4H,5-10H2,1-2H3
InChIKeyNKPBXSUVGFUSBZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.00
Rot. Bonds7

About 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate

6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate (PubChem CID 90871471) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate.

Molecular Properties

Compound Name6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate
PubChem CID90871471
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCOC(=O)N=CC
InChIInChI=1S/C12H20N2O4/c1-3-13-11(15)17-9-7-5-6-8-10-18-12(16)14-4-2/h3-4H,5-10H2,1-2H3
InChIKeyNKPBXSUVGFUSBZ-UHFFFAOYSA-N
XLogP3.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
CID 57086784
octadecyl N-ethylidenecarbamate
CID 57172450
6-hydroxyhexyl N-propylidenecarbamate
CID 91503077
decyl N-ethylidenecarbamate
CID 123347411
octyl N-ethylidenecarbamate
CID 123466877

Frequently Asked Questions

What is the IUPAC name of 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate?
The IUPAC name of 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate (CID 90871471) is 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate.
What is the SMILES notation for 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate?
The canonical SMILES for 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate is CC=NC(=O)OCCCCCCOC(=O)N=CC.
What is the InChIKey of 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate?
The InChIKey is NKPBXSUVGFUSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-13-11(15)17-9-7-5-6-8-10-18-12(16)14-4-2/h3-4H,5-10H2,1-2H3.
What are the key properties of 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate?
6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate has a molecular weight of 256.30 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate is sourced from PubChem (CID 90871471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).