azane;[(E)-but-1-enyl] octadecanoate;ethene

C24H52N2O2 — CID 173420288

IUPACazane;[(E)-but-1-enyl] octadecanoate;ethene
SMILESC=C.CC/C=C/OC(=O)CCCCCCCCCCCCCCCCC.N.N
InChIInChI=1S/C22H42O2.C2H4.2H3N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;1-2;;/h6,21H,3-5,7-20H2,1-2H3;1-2H2;2*1H3/b21-6+;;;
InChIKeyCRPOSOSZCQBVRP-OEHBVTDJSA-N
MW400.69 g/mol
LogP8.84
Rot. Bonds18

About azane;[(E)-but-1-enyl] octadecanoate;ethene

azane;[(E)-but-1-enyl] octadecanoate;ethene (PubChem CID 173420288) has the molecular formula C24H52N2O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is azane;[(E)-but-1-enyl] octadecanoate;ethene.

Molecular Properties

Compound Nameazane;[(E)-but-1-enyl] octadecanoate;ethene
PubChem CID173420288
Molecular FormulaC24H52N2O2
Molecular Weight400.69 g/mol
Exact Mass400.40
IUPAC Nameazane;[(E)-but-1-enyl] octadecanoate;ethene
SMILESC=C.CC/C=C/OC(=O)CCCCCCCCCCCCCCCCC.N.N
InChIInChI=1S/C22H42O2.C2H4.2H3N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;1-2;;/h6,21H,3-5,7-20H2,1-2H3;1-2H2;2*1H3/b21-6+;;;
InChIKeyCRPOSOSZCQBVRP-OEHBVTDJSA-N
XLogP8.84
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.69
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-1-enyl] (Z)-octadec-9-enoate
CID 140786894
bis(but-1-enyl) hexanedioate
CID 154102434
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
octadec-1-enyl tetradecanoate
CID 71417711
10-but-1-enoxy-10-oxodecanoic acid
CID 141244571
docos-1-enyl tetradecanoate
CID 141143815
[(E)-but-1-enyl] dec-9-enoate
CID 140786901
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
pent-1-enyl hexanoate
CID 54364167
hex-1-enyl hexanoate
CID 54423513
3-methylbuta-1,3-dienyl tetradecanoate
CID 163397981
undec-1-enyl pentanoate
CID 150139235

Frequently Asked Questions

What is the IUPAC name of azane;[(E)-but-1-enyl] octadecanoate;ethene?
The IUPAC name of azane;[(E)-but-1-enyl] octadecanoate;ethene (CID 173420288) is azane;[(E)-but-1-enyl] octadecanoate;ethene.
What is the SMILES notation for azane;[(E)-but-1-enyl] octadecanoate;ethene?
The canonical SMILES for azane;[(E)-but-1-enyl] octadecanoate;ethene is C=C.CC/C=C/OC(=O)CCCCCCCCCCCCCCCCC.N.N.
What is the InChIKey of azane;[(E)-but-1-enyl] octadecanoate;ethene?
The InChIKey is CRPOSOSZCQBVRP-OEHBVTDJSA-N. The full InChI is InChI=1S/C22H42O2.C2H4.2H3N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;1-2;;/h6,21H,3-5,7-20H2,1-2H3;1-2H2;2*1H3/b21-6+;;;.
What are the key properties of azane;[(E)-but-1-enyl] octadecanoate;ethene?
azane;[(E)-but-1-enyl] octadecanoate;ethene has a molecular weight of 400.69 g/mol, XLogP of 8.84, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[(E)-but-1-enyl] octadecanoate;ethene is sourced from PubChem (CID 173420288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).