2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate

C15H22O4 — CID 158227585

IUPAC2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate
SMILESC=CC(=O)OCCOC(=O)CCC1CC2CCC1C2
InChIInChI=1S/C15H22O4/c1-2-14(16)18-7-8-19-15(17)6-5-13-10-11-3-4-12(13)9-11/h2,11-13H,1,3-10H2
InChIKeyKFWOALIVAIYAQM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.48
Rot. Bonds7

About 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate

2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate (PubChem CID 158227585) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate
PubChem CID158227585
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate
SMILESC=CC(=O)OCCOC(=O)CCC1CC2CCC1C2
InChIInChI=1S/C15H22O4/c1-2-14(16)18-7-8-19-15(17)6-5-13-10-11-3-4-12(13)9-11/h2,11-13H,1,3-10H2
InChIKeyKFWOALIVAIYAQM-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)hept-6-en-3-one
CID 89406608
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl 4-(oxiran-2-yl)butanoate
CID 176908538
bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
CID 157126575
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-prop-2-enoyloxyethyl 3-[1,4-dimethyl-4-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]piperazine-1,4-diium-1-yl]propanoate
CID 102107251
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
4-O-(2-prop-2-enoyloxyethyl) 1-O-(3,3,3-trifluoropropyl) butanedioate
CID 88573928
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 121288869

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate (CID 158227585) is 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate is C=CC(=O)OCCOC(=O)CCC1CC2CCC1C2.
What is the InChIKey of 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate?
The InChIKey is KFWOALIVAIYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-14(16)18-7-8-19-15(17)6-5-13-10-11-3-4-12(13)9-11/h2,11-13H,1,3-10H2.
What are the key properties of 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate?
2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 3-(2-bicyclo[2.2.1]heptanyl)propanoate is sourced from PubChem (CID 158227585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).