sodium;2-decoxyacetic acid;hydride

C12H25NaO3 — CID 173154900

IUPACsodium;2-decoxyacetic acid;hydride
SMILESCCCCCCCCCCOCC(=O)O.[H-].[Na+]
InChIInChI=1S/C12H24O3.Na.H/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyFTROFQPHAOBRBD-UHFFFAOYSA-N
MW240.32 g/mol
LogP0.34
Rot. Bonds11

About sodium;2-decoxyacetic acid;hydride

sodium;2-decoxyacetic acid;hydride (PubChem CID 173154900) has the molecular formula C12H25NaO3 and a molecular weight of 240.32 g/mol. Its IUPAC name is sodium;2-decoxyacetic acid;hydride.

Molecular Properties

Compound Namesodium;2-decoxyacetic acid;hydride
PubChem CID173154900
Molecular FormulaC12H25NaO3
Molecular Weight240.32 g/mol
Exact Mass240.17
IUPAC Namesodium;2-decoxyacetic acid;hydride
SMILESCCCCCCCCCCOCC(=O)O.[H-].[Na+]
InChIInChI=1S/C12H24O3.Na.H/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyFTROFQPHAOBRBD-UHFFFAOYSA-N
XLogP0.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-dodecoxyacetic acid;hydride
CID 173155180
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-(3-pentoxypropoxy)acetic acid
CID 87690059
sodium;acetic acid;hydride;1-tridecoxytridecane
CID 173362445
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601

Frequently Asked Questions

What is the IUPAC name of sodium;2-decoxyacetic acid;hydride?
The IUPAC name of sodium;2-decoxyacetic acid;hydride (CID 173154900) is sodium;2-decoxyacetic acid;hydride.
What is the SMILES notation for sodium;2-decoxyacetic acid;hydride?
The canonical SMILES for sodium;2-decoxyacetic acid;hydride is CCCCCCCCCCOCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-decoxyacetic acid;hydride?
The InChIKey is FTROFQPHAOBRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.Na.H/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;2-decoxyacetic acid;hydride?
sodium;2-decoxyacetic acid;hydride has a molecular weight of 240.32 g/mol, XLogP of 0.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-decoxyacetic acid;hydride is sourced from PubChem (CID 173154900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).