sodium;hydride;octadecyl 2-hydroxybenzoate

C25H43NaO3 — CID 174913846

IUPACsodium;hydride;octadecyl 2-hydroxybenzoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.[H-].[Na+]
InChIInChI=1S/C25H42O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26;;/h17-18,20-21,26H,2-16,19,22H2,1H3;;/q;+1;-1
InChIKeyHXPCWSPKSDKCQV-UHFFFAOYSA-N
MW414.61 g/mol
LogP4.93
Rot. Bonds18

About sodium;hydride;octadecyl 2-hydroxybenzoate

sodium;hydride;octadecyl 2-hydroxybenzoate (PubChem CID 174913846) has the molecular formula C25H43NaO3 and a molecular weight of 414.61 g/mol. Its IUPAC name is sodium;hydride;octadecyl 2-hydroxybenzoate.

Molecular Properties

Compound Namesodium;hydride;octadecyl 2-hydroxybenzoate
PubChem CID174913846
Molecular FormulaC25H43NaO3
Molecular Weight414.61 g/mol
Exact Mass414.31
IUPAC Namesodium;hydride;octadecyl 2-hydroxybenzoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.[H-].[Na+]
InChIInChI=1S/C25H42O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26;;/h17-18,20-21,26H,2-16,19,22H2,1H3;;/q;+1;-1
InChIKeyHXPCWSPKSDKCQV-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
icosyl 2-hydroxybenzoate
CID 19044963
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965
docosyl 2-hydroxybenzoate;2-hydroxybenzoic acid
CID 67727649
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991
diicosyl benzene-1,2-dicarboxylate
CID 22491819
2-O-decyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423868
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391
didecyl benzene-1,2-dicarboxylate;ditridecyl benzene-1,2-dicarboxylate
CID 88778936

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octadecyl 2-hydroxybenzoate?
The IUPAC name of sodium;hydride;octadecyl 2-hydroxybenzoate (CID 174913846) is sodium;hydride;octadecyl 2-hydroxybenzoate.
What is the SMILES notation for sodium;hydride;octadecyl 2-hydroxybenzoate?
The canonical SMILES for sodium;hydride;octadecyl 2-hydroxybenzoate is CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;octadecyl 2-hydroxybenzoate?
The InChIKey is HXPCWSPKSDKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26;;/h17-18,20-21,26H,2-16,19,22H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;octadecyl 2-hydroxybenzoate?
sodium;hydride;octadecyl 2-hydroxybenzoate has a molecular weight of 414.61 g/mol, XLogP of 4.93, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octadecyl 2-hydroxybenzoate is sourced from PubChem (CID 174913846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).