cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate

C18H34O5 — CID 121469386

IUPACcyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
SMILESCCCCOCCOCCOCCCC(=O)OC1CCCCC1
InChIInChI=1S/C18H34O5/c1-2-3-11-20-13-15-22-16-14-21-12-7-10-18(19)23-17-8-5-4-6-9-17/h17H,2-16H2,1H3
InChIKeyWOJSAPPAGQXCDK-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.49
Rot. Bonds14

About cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate

cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate (PubChem CID 121469386) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate.

Molecular Properties

Compound Namecyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
PubChem CID121469386
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Namecyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
SMILESCCCCOCCOCCOCCCC(=O)OC1CCCCC1
InChIInChI=1S/C18H34O5/c1-2-3-11-20-13-15-22-16-14-21-12-7-10-18(19)23-17-8-5-4-6-9-17/h17H,2-16H2,1H3
InChIKeyWOJSAPPAGQXCDK-UHFFFAOYSA-N
XLogP3.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121470128
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclobutyl pentadecanoate
CID 46229794
dicyclohexyl pentanedioate
CID 15593941
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
copper;cyclohexyl butanoate
CID 67654151
cyclopentyl 4-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111829393
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
strontium;cyclohexyl butanoate;hydride
CID 173148532

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate?
The IUPAC name of cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate (CID 121469386) is cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate.
What is the SMILES notation for cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate?
The canonical SMILES for cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate is CCCCOCCOCCOCCCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate?
The InChIKey is WOJSAPPAGQXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-2-3-11-20-13-15-22-16-14-21-12-7-10-18(19)23-17-8-5-4-6-9-17/h17H,2-16H2,1H3.
What are the key properties of cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate?
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate has a molecular weight of 330.47 g/mol, XLogP of 3.49, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate is sourced from PubChem (CID 121469386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).