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

C18H34O6 — CID 121470388

IUPACcyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCOCCOCCOCCOCCCC(=O)OC1CCCCC1
InChIInChI=1S/C18H34O6/c1-2-20-11-12-22-15-16-23-14-13-21-10-6-9-18(19)24-17-7-4-3-5-8-17/h17H,2-16H2,1H3
InChIKeyIKHVUAYIVMKARE-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.73
Rot. Bonds15

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

cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 121470388) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namecyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID121470388
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Namecyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCOCCOCCOCCOCCCC(=O)OC1CCCCC1
InChIInChI=1S/C18H34O6/c1-2-20-11-12-22-15-16-23-14-13-21-10-6-9-18(19)24-17-7-4-3-5-8-17/h17H,2-16H2,1H3
InChIKeyIKHVUAYIVMKARE-UHFFFAOYSA-N
XLogP2.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121470128
dicyclohexyl pentanedioate
CID 15593941
(3-methoxycyclohexyl) 4-ethoxybutanoate
CID 78885793
cyclopentyl 4-aminooxybutanoate
CID 145423732
copper;cyclohexyl butanoate
CID 67654151
cyclobutyl pentadecanoate
CID 46229794
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate (CID 121470388) is cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate is CCOCCOCCOCCOCCCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is IKHVUAYIVMKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-2-20-11-12-22-15-16-23-14-13-21-10-6-9-18(19)24-17-7-4-3-5-8-17/h17H,2-16H2,1H3.
What are the key properties of cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 346.46 g/mol, XLogP of 2.73, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121470388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).