sodium;formamido (Z)-octadec-9-enoate;hydride

C19H36NNaO3 — CID 175201611

IUPACsodium;formamido (Z)-octadec-9-enoate;hydride
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)ONC=O.[H-].[Na+]
InChIInChI=1S/C19H35NO3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)23-20-18-21;;/h9-10,18H,2-8,11-17H2,1H3,(H,20,21);;/q;+1;-1/b10-9-;;
InChIKeyPRKBQOXTJHPBLK-XXAVUKJNSA-N
MW349.49 g/mol
LogP2.34
Rot. Bonds17

About sodium;formamido (Z)-octadec-9-enoate;hydride

sodium;formamido (Z)-octadec-9-enoate;hydride (PubChem CID 175201611) has the molecular formula C19H36NNaO3 and a molecular weight of 349.49 g/mol. Its IUPAC name is sodium;formamido (Z)-octadec-9-enoate;hydride.

Molecular Properties

Compound Namesodium;formamido (Z)-octadec-9-enoate;hydride
PubChem CID175201611
Molecular FormulaC19H36NNaO3
Molecular Weight349.49 g/mol
Exact Mass349.26
IUPAC Namesodium;formamido (Z)-octadec-9-enoate;hydride
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)ONC=O.[H-].[Na+]
InChIInChI=1S/C19H35NO3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)23-20-18-21;;/h9-10,18H,2-8,11-17H2,1H3,(H,20,21);;/q;+1;-1/b10-9-;;
InChIKeyPRKBQOXTJHPBLK-XXAVUKJNSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

disodium;hydride;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 173022555
sodium;hydride;octadec-9-enoyl octadec-9-enoate
CID 173290321
(octadecanoylamino) (Z)-octadec-9-enoate
CID 88515409
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
[[(Z)-octadec-9-enyl]amino] hexadecanoate
CID 155150078
acetaldehyde;methyl nonadecanoate;methyl (E)-nonadec-10-enoate;methyl octadecanoate;methyl (Z)-octadec-9-enoate
CID 161011113
dilithium;hydride;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 174850979

Frequently Asked Questions

What is the IUPAC name of sodium;formamido (Z)-octadec-9-enoate;hydride?
The IUPAC name of sodium;formamido (Z)-octadec-9-enoate;hydride (CID 175201611) is sodium;formamido (Z)-octadec-9-enoate;hydride.
What is the SMILES notation for sodium;formamido (Z)-octadec-9-enoate;hydride?
The canonical SMILES for sodium;formamido (Z)-octadec-9-enoate;hydride is CCCCCCCC/C=C\CCCCCCCC(=O)ONC=O.[H-].[Na+].
What is the InChIKey of sodium;formamido (Z)-octadec-9-enoate;hydride?
The InChIKey is PRKBQOXTJHPBLK-XXAVUKJNSA-N. The full InChI is InChI=1S/C19H35NO3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)23-20-18-21;;/h9-10,18H,2-8,11-17H2,1H3,(H,20,21);;/q;+1;-1/b10-9-;;.
What are the key properties of sodium;formamido (Z)-octadec-9-enoate;hydride?
sodium;formamido (Z)-octadec-9-enoate;hydride has a molecular weight of 349.49 g/mol, XLogP of 2.34, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formamido (Z)-octadec-9-enoate;hydride is sourced from PubChem (CID 175201611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).