2-(3-nonoxypropoxy)hexanoic acid

C18H36O4 — CID 175887191

IUPAC2-(3-nonoxypropoxy)hexanoic acid
SMILESCCCCCCCCCOCCCOC(CCCC)C(=O)O
InChIInChI=1S/C18H36O4/c1-3-5-7-8-9-10-11-14-21-15-12-16-22-17(18(19)20)13-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)
InChIKeyJKQASTGHQOXRMM-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.80
Rot. Bonds17

About 2-(3-nonoxypropoxy)hexanoic acid

2-(3-nonoxypropoxy)hexanoic acid (PubChem CID 175887191) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is 2-(3-nonoxypropoxy)hexanoic acid.

Molecular Properties

Compound Name2-(3-nonoxypropoxy)hexanoic acid
PubChem CID175887191
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name2-(3-nonoxypropoxy)hexanoic acid
SMILESCCCCCCCCCOCCCOC(CCCC)C(=O)O
InChIInChI=1S/C18H36O4/c1-3-5-7-8-9-10-11-14-21-15-12-16-22-17(18(19)20)13-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)
InChIKeyJKQASTGHQOXRMM-UHFFFAOYSA-N
XLogP4.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.80
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

2-decoxydecanoic acid
CID 152638766
2-nonadecoxybutanedioic acid
CID 122611322
2-ethoxyicosanoic acid
CID 86106777
2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87565763
12-hydroxy-2-(2-hydroxyethoxy)octadecanoic acid
CID 175760770
2-(3-methylbut-3-enoxy)hexanoic acid
CID 114469942
2-ethoxy-3-pentoxypropanoic acid
CID 63074511
2,3-bis(6-oxo-6-pentadecan-7-yloxyhexoxy)propanoic acid
CID 168985500
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
2-[2-[2-[1-(1-carboxynonoxy)decan-2-yloxy]ethoxy]decoxy]decanoic acid
CID 10010065
2-tetradec-6-enoxybutanoic acid
CID 90725661
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232

Frequently Asked Questions

What is the IUPAC name of 2-(3-nonoxypropoxy)hexanoic acid?
The IUPAC name of 2-(3-nonoxypropoxy)hexanoic acid (CID 175887191) is 2-(3-nonoxypropoxy)hexanoic acid.
What is the SMILES notation for 2-(3-nonoxypropoxy)hexanoic acid?
The canonical SMILES for 2-(3-nonoxypropoxy)hexanoic acid is CCCCCCCCCOCCCOC(CCCC)C(=O)O.
What is the InChIKey of 2-(3-nonoxypropoxy)hexanoic acid?
The InChIKey is JKQASTGHQOXRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4/c1-3-5-7-8-9-10-11-14-21-15-12-16-22-17(18(19)20)13-6-4-2/h17H,3-16H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-nonoxypropoxy)hexanoic acid?
2-(3-nonoxypropoxy)hexanoic acid has a molecular weight of 316.48 g/mol, XLogP of 4.80, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nonoxypropoxy)hexanoic acid is sourced from PubChem (CID 175887191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).