2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate

C17H26O4 — CID 66595925

IUPAC2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC1CC2CC1C1CCCC21
InChIInChI=1S/C17H26O4/c1-2-17(18)21-9-7-19-6-8-20-16-11-12-10-15(16)14-5-3-4-13(12)14/h2,12-16H,1,3-11H2
InChIKeyNUSJYBPDPWGZND-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate

2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate (PubChem CID 66595925) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
PubChem CID66595925
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC1CC2CC1C1CCCC21
InChIInChI=1S/C17H26O4/c1-2-17(18)21-9-7-19-6-8-20-16-11-12-10-15(16)14-5-3-4-13(12)14/h2,12-16H,1,3-11H2
InChIKeyNUSJYBPDPWGZND-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.57
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

2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595926
2-[[(1R,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 51408723
2-[[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]ethyl prop-2-enoate
CID 155251554
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
CID 70667209
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane
CID 20676852
[(1S,2R,6S,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490885
[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490884
2-(10-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl prop-2-enoate;3-tricyclo[5.2.1.02,6]decanylmethyl prop-2-enoate;8-tricyclo[5.2.1.02,6]decanylmethyl prop-2-enoate;10-tricyclo[5.2.1.02,6]decanylmethyl prop-2-enoate;2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl prop-2-enoate;2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethyl prop-2-enoate;2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethyl prop-2-enoate;3-tricyclo[5.2.1.02,6]decanyl prop-2-enoate;4-tricyclo[5.2.1.02,6]decanyl prop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 158627467

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate (CID 66595925) is 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOC1CC2CC1C1CCCC21.
What is the InChIKey of 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is NUSJYBPDPWGZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-2-17(18)21-9-7-19-6-8-20-16-11-12-10-15(16)14-5-3-4-13(12)14/h2,12-16H,1,3-11H2.
What are the key properties of 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate?
2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 66595925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).