ethyl 5-(2-methylpropanoyloxy)pentanoate

C11H20O4 — CID 156656720

IUPACethyl 5-(2-methylpropanoyloxy)pentanoate
SMILESCCOC(=O)CCCCOC(=O)C(C)C
InChIInChI=1S/C11H20O4/c1-4-14-10(12)7-5-6-8-15-11(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyKOUQQILFENBANQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds7

About ethyl 5-(2-methylpropanoyloxy)pentanoate

ethyl 5-(2-methylpropanoyloxy)pentanoate (PubChem CID 156656720) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5-(2-methylpropanoyloxy)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropanoyloxy)pentanoate
PubChem CID156656720
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 5-(2-methylpropanoyloxy)pentanoate
SMILESCCOC(=O)CCCCOC(=O)C(C)C
InChIInChI=1S/C11H20O4/c1-4-14-10(12)7-5-6-8-15-11(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyKOUQQILFENBANQ-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
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

(3-ethoxy-3-oxopropyl) 2-methylpropanoate
CID 59093040
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
ethyl 5-methoxypentanoate
CID 21476247
6-O-butyl 1-O-ethyl hexanedioate
CID 22057026
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357
ethyl 6-aminooxyhexanoate
CID 10559164
ethyl 6-(1-hydroxypropan-2-yloxy)hexanoate
CID 171722005
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 17-methyloctadecanoate
CID 122524767
bismuthane;ethyl 6-methylheptanoate
CID 175540267

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropanoyloxy)pentanoate?
The IUPAC name of ethyl 5-(2-methylpropanoyloxy)pentanoate (CID 156656720) is ethyl 5-(2-methylpropanoyloxy)pentanoate.
What is the SMILES notation for ethyl 5-(2-methylpropanoyloxy)pentanoate?
The canonical SMILES for ethyl 5-(2-methylpropanoyloxy)pentanoate is CCOC(=O)CCCCOC(=O)C(C)C.
What is the InChIKey of ethyl 5-(2-methylpropanoyloxy)pentanoate?
The InChIKey is KOUQQILFENBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-14-10(12)7-5-6-8-15-11(13)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 5-(2-methylpropanoyloxy)pentanoate?
ethyl 5-(2-methylpropanoyloxy)pentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylpropanoyloxy)pentanoate is sourced from PubChem (CID 156656720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).