octyl 4-(2-methoxyethoxy)butanoate

C15H30O4 — CID 121469621

IUPACoctyl 4-(2-methoxyethoxy)butanoate
SMILESCCCCCCCCOC(=O)CCCOCCOC
InChIInChI=1S/C15H30O4/c1-3-4-5-6-7-8-12-19-15(16)10-9-11-18-14-13-17-2/h3-14H2,1-2H3
InChIKeyDRZTYPJALZEFSV-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.33
Rot. Bonds14

About octyl 4-(2-methoxyethoxy)butanoate

octyl 4-(2-methoxyethoxy)butanoate (PubChem CID 121469621) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is octyl 4-(2-methoxyethoxy)butanoate.

Molecular Properties

Compound Nameoctyl 4-(2-methoxyethoxy)butanoate
PubChem CID121469621
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Nameoctyl 4-(2-methoxyethoxy)butanoate
SMILESCCCCCCCCOC(=O)CCCOCCOC
InChIInChI=1S/C15H30O4/c1-3-4-5-6-7-8-12-19-15(16)10-9-11-18-14-13-17-2/h3-14H2,1-2H3
InChIKeyDRZTYPJALZEFSV-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
hexadecyl 4-(2-dodecoxyethoxy)butanoate
CID 121469473
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
hexyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470252
nonyl 4-(2-pentoxyethoxy)butanoate
CID 121470464
octadecyl 4-(2-heptoxyethoxy)butanoate
CID 121469384
decyl 4-(2-decoxyethoxy)butanoate
CID 121470374
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470338
hexyl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469353

Frequently Asked Questions

What is the IUPAC name of octyl 4-(2-methoxyethoxy)butanoate?
The IUPAC name of octyl 4-(2-methoxyethoxy)butanoate (CID 121469621) is octyl 4-(2-methoxyethoxy)butanoate.
What is the SMILES notation for octyl 4-(2-methoxyethoxy)butanoate?
The canonical SMILES for octyl 4-(2-methoxyethoxy)butanoate is CCCCCCCCOC(=O)CCCOCCOC.
What is the InChIKey of octyl 4-(2-methoxyethoxy)butanoate?
The InChIKey is DRZTYPJALZEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-3-4-5-6-7-8-12-19-15(16)10-9-11-18-14-13-17-2/h3-14H2,1-2H3.
What are the key properties of octyl 4-(2-methoxyethoxy)butanoate?
octyl 4-(2-methoxyethoxy)butanoate has a molecular weight of 274.40 g/mol, XLogP of 3.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 4-(2-methoxyethoxy)butanoate is sourced from PubChem (CID 121469621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).