cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate

C18H34O4 — CID 67882707

IUPACcyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
SMILESC1CCC1.CCC(CC)C(=O)OCCOC(=O)C(CC)CC
InChIInChI=1S/C14H26O4.C4H8/c1-5-11(6-2)13(15)17-9-10-18-14(16)12(7-3)8-4;1-2-4-3-1/h11-12H,5-10H2,1-4H3;1-4H2
InChIKeyIFWJWVUILYZMBT-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.51
Rot. Bonds9

About cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate

cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate (PubChem CID 67882707) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate.

Molecular Properties

Compound Namecyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
PubChem CID67882707
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Namecyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
SMILESC1CCC1.CCC(CC)C(=O)OCCOC(=O)C(CC)CC
InChIInChI=1S/C14H26O4.C4H8/c1-5-11(6-2)13(15)17-9-10-18-14(16)12(7-3)8-4;1-2-4-3-1/h11-12H,5-10H2,1-4H3;1-4H2
InChIKeyIFWJWVUILYZMBT-UHFFFAOYSA-N
XLogP4.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.51
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

icosyl 2-ethylbutanoate
CID 91709792
nonadecyl 2-ethylbutanoate
CID 91709791
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
CID 151792785
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
pentakis(2-methoxyethyl) 1-methylundecane-1,3,5,7,9-pentacarboxylate
CID 166057614
2-prop-1-en-2-yloxyethyl 2-ethylpentanoate
CID 155607626
2-ethylbutanoylperoxy 2-ethylbutaneperoxoate
CID 56625964
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
bis(2-fluoroethyl) 2-ethylbutanedioate
CID 20768695

Frequently Asked Questions

What is the IUPAC name of cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate?
The IUPAC name of cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate (CID 67882707) is cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate.
What is the SMILES notation for cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate?
The canonical SMILES for cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate is C1CCC1.CCC(CC)C(=O)OCCOC(=O)C(CC)CC.
What is the InChIKey of cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate?
The InChIKey is IFWJWVUILYZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.C4H8/c1-5-11(6-2)13(15)17-9-10-18-14(16)12(7-3)8-4;1-2-4-3-1/h11-12H,5-10H2,1-4H3;1-4H2.
What are the key properties of cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate?
cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate has a molecular weight of 314.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate is sourced from PubChem (CID 67882707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).