nonyl 4-(2-pentoxyethoxy)butanoate

C20H40O4 — CID 121470464

IUPACnonyl 4-(2-pentoxyethoxy)butanoate
SMILESCCCCCCCCCOC(=O)CCCOCCOCCCCC
InChIInChI=1S/C20H40O4/c1-3-5-7-8-9-10-12-17-24-20(21)14-13-16-23-19-18-22-15-11-6-4-2/h3-19H2,1-2H3
InChIKeyYHASZFBCXALKIP-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.28
Rot. Bonds19

About nonyl 4-(2-pentoxyethoxy)butanoate

nonyl 4-(2-pentoxyethoxy)butanoate (PubChem CID 121470464) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is nonyl 4-(2-pentoxyethoxy)butanoate.

Molecular Properties

Compound Namenonyl 4-(2-pentoxyethoxy)butanoate
PubChem CID121470464
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Namenonyl 4-(2-pentoxyethoxy)butanoate
SMILESCCCCCCCCCOC(=O)CCCOCCOCCCCC
InChIInChI=1S/C20H40O4/c1-3-5-7-8-9-10-12-17-24-20(21)14-13-16-23-19-18-22-15-11-6-4-2/h3-19H2,1-2H3
InChIKeyYHASZFBCXALKIP-UHFFFAOYSA-N
XLogP5.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.28
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

dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
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
octadecyl 4-(2-heptoxyethoxy)butanoate
CID 121469384
decyl 4-(2-decoxyethoxy)butanoate
CID 121470374
hexadecyl 4-(2-dodecoxyethoxy)butanoate
CID 121469473
tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470338
hexyl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469353
heptyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469588
butyl 4-[2-(2-octoxyethoxy)ethoxy]butanoate
CID 121469779

Frequently Asked Questions

What is the IUPAC name of nonyl 4-(2-pentoxyethoxy)butanoate?
The IUPAC name of nonyl 4-(2-pentoxyethoxy)butanoate (CID 121470464) is nonyl 4-(2-pentoxyethoxy)butanoate.
What is the SMILES notation for nonyl 4-(2-pentoxyethoxy)butanoate?
The canonical SMILES for nonyl 4-(2-pentoxyethoxy)butanoate is CCCCCCCCCOC(=O)CCCOCCOCCCCC.
What is the InChIKey of nonyl 4-(2-pentoxyethoxy)butanoate?
The InChIKey is YHASZFBCXALKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-3-5-7-8-9-10-12-17-24-20(21)14-13-16-23-19-18-22-15-11-6-4-2/h3-19H2,1-2H3.
What are the key properties of nonyl 4-(2-pentoxyethoxy)butanoate?
nonyl 4-(2-pentoxyethoxy)butanoate has a molecular weight of 344.54 g/mol, XLogP of 5.28, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 4-(2-pentoxyethoxy)butanoate is sourced from PubChem (CID 121470464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).