[(E)-1-aminooxyoctadec-4-en-3-yl] formate

C19H37NO3 — CID 167092782

IUPAC[(E)-1-aminooxyoctadec-4-en-3-yl] formate
SMILESCCCCCCCCCCCCC/C=C/C(CCON)OC=O
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22-18-21)16-17-23-20/h14-15,18-19H,2-13,16-17,20H2,1H3/b15-14+
InChIKeyCVIPOJGVOATBSI-CCEZHUSRSA-N
MW327.51 g/mol
LogP5.07
Rot. Bonds18

About [(E)-1-aminooxyoctadec-4-en-3-yl] formate

[(E)-1-aminooxyoctadec-4-en-3-yl] formate (PubChem CID 167092782) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is [(E)-1-aminooxyoctadec-4-en-3-yl] formate.

Molecular Properties

Compound Name[(E)-1-aminooxyoctadec-4-en-3-yl] formate
PubChem CID167092782
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name[(E)-1-aminooxyoctadec-4-en-3-yl] formate
SMILESCCCCCCCCCCCCC/C=C/C(CCON)OC=O
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22-18-21)16-17-23-20/h14-15,18-19H,2-13,16-17,20H2,1H3/b15-14+
InChIKeyCVIPOJGVOATBSI-CCEZHUSRSA-N
XLogP5.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-1-aminooxyoctadec-4-en-3-yl] formate with MolForge

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

Launch Full Analysis

Related Compounds

hexadecanal;N-methylmethanamine;[(E,4S)-nonadec-5-en-4-yl] formate
CID 163385039
undeca-1,5-dien-4-yl formate
CID 173393596
1-aminooctyl formate
CID 174824755
octadecan-8-yl formate
CID 171797323
9,10-dioctyloctadeca-7,11-diene
CID 173120989
hexatriacontan-18-yl formate
CID 144696165
[(E)-7-methyloctadec-8-enoxy]methanamine
CID 155014981
tetratriaconta-3,6,25,28-tetraen-16-yl formate
CID 91592372
(E)-6-butylhexacos-7-ene
CID 173194372
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
1-ethoxydecan-3-yl formate
CID 173324667

Frequently Asked Questions

What is the IUPAC name of [(E)-1-aminooxyoctadec-4-en-3-yl] formate?
The IUPAC name of [(E)-1-aminooxyoctadec-4-en-3-yl] formate (CID 167092782) is [(E)-1-aminooxyoctadec-4-en-3-yl] formate.
What is the SMILES notation for [(E)-1-aminooxyoctadec-4-en-3-yl] formate?
The canonical SMILES for [(E)-1-aminooxyoctadec-4-en-3-yl] formate is CCCCCCCCCCCCC/C=C/C(CCON)OC=O.
What is the InChIKey of [(E)-1-aminooxyoctadec-4-en-3-yl] formate?
The InChIKey is CVIPOJGVOATBSI-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22-18-21)16-17-23-20/h14-15,18-19H,2-13,16-17,20H2,1H3/b15-14+.
What are the key properties of [(E)-1-aminooxyoctadec-4-en-3-yl] formate?
[(E)-1-aminooxyoctadec-4-en-3-yl] formate has a molecular weight of 327.51 g/mol, XLogP of 5.07, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-aminooxyoctadec-4-en-3-yl] formate is sourced from PubChem (CID 167092782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).