sodium;hydride;2-hydroxynonanoic acid

C9H19NaO3 — CID 175073840

IUPACsodium;hydride;2-hydroxynonanoic acid
SMILESCCCCCCCC(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C9H18O3.Na.H/c1-2-3-4-5-6-7-8(10)9(11)12;;/h8,10H,2-7H2,1H3,(H,11,12);;/q;+1;-1
InChIKeyPAEZOHFKYPGIBP-UHFFFAOYSA-N
MW198.24 g/mol
LogP-1.09
Rot. Bonds7

About sodium;hydride;2-hydroxynonanoic acid

sodium;hydride;2-hydroxynonanoic acid (PubChem CID 175073840) has the molecular formula C9H19NaO3 and a molecular weight of 198.24 g/mol. Its IUPAC name is sodium;hydride;2-hydroxynonanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxynonanoic acid
PubChem CID175073840
Molecular FormulaC9H19NaO3
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Namesodium;hydride;2-hydroxynonanoic acid
SMILESCCCCCCCC(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C9H18O3.Na.H/c1-2-3-4-5-6-7-8(10)9(11)12;;/h8,10H,2-7H2,1H3,(H,11,12);;/q;+1;-1
InChIKeyPAEZOHFKYPGIBP-UHFFFAOYSA-N
XLogP-1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-hydroxyheptanoic acid
CID 2750949
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxynonanoic acid?
The IUPAC name of sodium;hydride;2-hydroxynonanoic acid (CID 175073840) is sodium;hydride;2-hydroxynonanoic acid.
What is the SMILES notation for sodium;hydride;2-hydroxynonanoic acid?
The canonical SMILES for sodium;hydride;2-hydroxynonanoic acid is CCCCCCCC(O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxynonanoic acid?
The InChIKey is PAEZOHFKYPGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.Na.H/c1-2-3-4-5-6-7-8(10)9(11)12;;/h8,10H,2-7H2,1H3,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxynonanoic acid?
sodium;hydride;2-hydroxynonanoic acid has a molecular weight of 198.24 g/mol, XLogP of -1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxynonanoic acid is sourced from PubChem (CID 175073840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).