2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate

C19H28O4 — CID 66595926

IUPAC2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C19H28O4/c1-2-17(20)23-8-6-21-5-7-22-16-11-14-10-15(16)19-13-4-3-12(9-13)18(14)19/h2,12-16,18-19H,1,3-11H2
InChIKeyHTBMPQRMCCUEOO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.82
Rot. Bonds8

About 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate

2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate (PubChem CID 66595926) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
PubChem CID66595926
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C19H28O4/c1-2-17(20)23-8-6-21-5-7-22-16-11-14-10-15(16)19-13-4-3-12(9-13)18(14)19/h2,12-16,18-19H,1,3-11H2
InChIKeyHTBMPQRMCCUEOO-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(8-tricyclo[5.2.1.02,6]decanyloxy)ethoxy]ethyl prop-2-enoate
CID 66595925
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
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
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
CID 70667209
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoroacetate
CID 58225942
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
CID 67964667
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-(hydroxymethyl)prop-2-enoate
CID 21360355
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate (CID 66595926) is 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is HTBMPQRMCCUEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-2-17(20)23-8-6-21-5-7-22-16-11-14-10-15(16)19-13-4-3-12(9-13)18(14)19/h2,12-16,18-19H,1,3-11H2.
What are the key properties of 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate?
2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 66595926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).