2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate

C14H24O2 — CID 170937729

IUPAC2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCC12CCC(CC1)CC2
InChIInChI=1S/C14H24O2/c1-11(2)13(15)16-10-9-14-6-3-12(4-7-14)5-8-14/h11-12H,3-10H2,1-2H3
InChIKeyXREQKELPRDJGJG-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.55
Rot. Bonds4

About 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate

2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate (PubChem CID 170937729) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate
PubChem CID170937729
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCC12CCC(CC1)CC2
InChIInChI=1S/C14H24O2/c1-11(2)13(15)16-10-9-14-6-3-12(4-7-14)5-8-14/h11-12H,3-10H2,1-2H3
InChIKeyXREQKELPRDJGJG-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl 2-methylpropanoate
CID 146279354
2-(1-adamantyl)ethyl (2R)-2-amino-4-methylpentanoate
CID 10517844
3-pentyloctyl 8-[[8-[2-(1-bicyclo[2.2.2]octanyl)ethoxy]-8-oxooctyl]-prop-2-ynylamino]octanoate
CID 168962283
2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid
CID 130806109
2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylpropanoate
CID 129037323
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
3-aminopropyl 2-methylpropanoate
CID 59078098
cyclopentylmethyl 2-methylpropanoate
CID 21063892
2-(methyldisulfanyl)ethyl 2-methylpropanoate
CID 160539499
2-[4-(cyclopropanecarbonyl)phenyl]ethyl 2-methylpropanoate
CID 175396158
butyl 2-methylpropanoate;2-methylpropane
CID 157176975

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate?
The IUPAC name of 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate (CID 170937729) is 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate is CC(C)C(=O)OCCC12CCC(CC1)CC2.
What is the InChIKey of 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate?
The InChIKey is XREQKELPRDJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)13(15)16-10-9-14-6-3-12(4-7-14)5-8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate?
2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate has a molecular weight of 224.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.2]octanyl)ethyl 2-methylpropanoate is sourced from PubChem (CID 170937729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).