calcium;(Z)-octadec-9-enamide;carbonate

C19H35CaNO4 — CID 87780196

IUPACcalcium;(Z)-octadec-9-enamide;carbonate
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.O=C([O-])[O-].[Ca+2]
InChIInChI=1S/C18H35NO.CH2O3.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);(H2,2,3,4);/q;;+2/p-2/b10-9-;;
InChIKeyWLLPSELNAYQTBV-XXAVUKJNSA-L
MW381.57 g/mol
LogP2.68
Rot. Bonds15

About calcium;(Z)-octadec-9-enamide;carbonate

calcium;(Z)-octadec-9-enamide;carbonate (PubChem CID 87780196) has the molecular formula C19H35CaNO4 and a molecular weight of 381.57 g/mol. Its IUPAC name is calcium;(Z)-octadec-9-enamide;carbonate.

Molecular Properties

Compound Namecalcium;(Z)-octadec-9-enamide;carbonate
PubChem CID87780196
Molecular FormulaC19H35CaNO4
Molecular Weight381.57 g/mol
Exact Mass381.22
IUPAC Namecalcium;(Z)-octadec-9-enamide;carbonate
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.O=C([O-])[O-].[Ca+2]
InChIInChI=1S/C18H35NO.CH2O3.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);(H2,2,3,4);/q;;+2/p-2/b10-9-;;
InChIKeyWLLPSELNAYQTBV-XXAVUKJNSA-L
XLogP2.68
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze calcium;(Z)-octadec-9-enamide;carbonate 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

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657

Frequently Asked Questions

What is the IUPAC name of calcium;(Z)-octadec-9-enamide;carbonate?
The IUPAC name of calcium;(Z)-octadec-9-enamide;carbonate (CID 87780196) is calcium;(Z)-octadec-9-enamide;carbonate.
What is the SMILES notation for calcium;(Z)-octadec-9-enamide;carbonate?
The canonical SMILES for calcium;(Z)-octadec-9-enamide;carbonate is CCCCCCCC/C=C\CCCCCCCC(N)=O.O=C([O-])[O-].[Ca+2].
What is the InChIKey of calcium;(Z)-octadec-9-enamide;carbonate?
The InChIKey is WLLPSELNAYQTBV-XXAVUKJNSA-L. The full InChI is InChI=1S/C18H35NO.CH2O3.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);(H2,2,3,4);/q;;+2/p-2/b10-9-;;.
What are the key properties of calcium;(Z)-octadec-9-enamide;carbonate?
calcium;(Z)-octadec-9-enamide;carbonate has a molecular weight of 381.57 g/mol, XLogP of 2.68, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;(Z)-octadec-9-enamide;carbonate is sourced from PubChem (CID 87780196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).