hexyl N-ethoxycarbonyliminocarbamate

C10H18N2O4 — CID 140646328

IUPAChexyl N-ethoxycarbonyliminocarbamate
SMILESCCCCCCOC(=O)N=NC(=O)OCC
InChIInChI=1S/C10H18N2O4/c1-3-5-6-7-8-16-10(14)12-11-9(13)15-4-2/h3-8H2,1-2H3
InChIKeyLUOPRNXDSMMDRF-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.31
Rot. Bonds6

About hexyl N-ethoxycarbonyliminocarbamate

hexyl N-ethoxycarbonyliminocarbamate (PubChem CID 140646328) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is hexyl N-ethoxycarbonyliminocarbamate.

Molecular Properties

Compound Namehexyl N-ethoxycarbonyliminocarbamate
PubChem CID140646328
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namehexyl N-ethoxycarbonyliminocarbamate
SMILESCCCCCCOC(=O)N=NC(=O)OCC
InChIInChI=1S/C10H18N2O4/c1-3-5-6-7-8-16-10(14)12-11-9(13)15-4-2/h3-8H2,1-2H3
InChIKeyLUOPRNXDSMMDRF-UHFFFAOYSA-N
XLogP3.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

octoxycarbonyliminocarbamic acid
CID 90272761
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
azane;dioctyl carbonate
CID 174626203
octadecyl N-(octadecoxycarbonylimino-λ4-sulfanylidene)carbamate
CID 19777044

Frequently Asked Questions

What is the IUPAC name of hexyl N-ethoxycarbonyliminocarbamate?
The IUPAC name of hexyl N-ethoxycarbonyliminocarbamate (CID 140646328) is hexyl N-ethoxycarbonyliminocarbamate.
What is the SMILES notation for hexyl N-ethoxycarbonyliminocarbamate?
The canonical SMILES for hexyl N-ethoxycarbonyliminocarbamate is CCCCCCOC(=O)N=NC(=O)OCC.
What is the InChIKey of hexyl N-ethoxycarbonyliminocarbamate?
The InChIKey is LUOPRNXDSMMDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-5-6-7-8-16-10(14)12-11-9(13)15-4-2/h3-8H2,1-2H3.
What are the key properties of hexyl N-ethoxycarbonyliminocarbamate?
hexyl N-ethoxycarbonyliminocarbamate has a molecular weight of 230.26 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-ethoxycarbonyliminocarbamate is sourced from PubChem (CID 140646328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).