2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate

C35H56O5 — CID 141263807

IUPAC2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCC(O/C1=C/CCCCCCCC1)(O/C1=C/CCCCCCCC1)O/C1=C/CCCCCCCC1
InChIInChI=1S/C35H56O5/c1-2-34(36)37-30-35(38-31-24-18-12-6-3-7-13-19-25-31,39-32-26-20-14-8-4-9-15-21-27-32)40-33-28-22-16-10-5-11-17-23-29-33/h2,24,26,28H,1,3-23,25,27,29-30H2/b31-24+,32-26+,33-28+
InChIKeyVKKCOGFZYYQWKW-NGPYPVDLSA-N
MW556.83 g/mol
LogP10.47
Rot. Bonds9

About 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate

2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate (PubChem CID 141263807) has the molecular formula C35H56O5 and a molecular weight of 556.83 g/mol. Its IUPAC name is 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate
PubChem CID141263807
Molecular FormulaC35H56O5
Molecular Weight556.83 g/mol
Exact Mass556.41
IUPAC Name2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCC(O/C1=C/CCCCCCCC1)(O/C1=C/CCCCCCCC1)O/C1=C/CCCCCCCC1
InChIInChI=1S/C35H56O5/c1-2-34(36)37-30-35(38-31-24-18-12-6-3-7-13-19-25-31,39-32-26-20-14-8-4-9-15-21-27-32)40-33-28-22-16-10-5-11-17-23-29-33/h2,24,26,28H,1,3-23,25,27,29-30H2/b31-24+,32-26+,33-28+
InChIKeyVKKCOGFZYYQWKW-NGPYPVDLSA-N
XLogP10.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.83
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
CID 142748718
dicyclododecen-1-yl butanedioate
CID 70131670
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
(E)-4-[(1E)-cycloocten-1-yl]oxy-4-oxobut-2-enoic acid
CID 23073688
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate
CID 141034957
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174380078

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate?
The IUPAC name of 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate (CID 141263807) is 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate.
What is the SMILES notation for 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate?
The canonical SMILES for 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate is C=CC(=O)OCC(O/C1=C/CCCCCCCC1)(O/C1=C/CCCCCCCC1)O/C1=C/CCCCCCCC1.
What is the InChIKey of 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate?
The InChIKey is VKKCOGFZYYQWKW-NGPYPVDLSA-N. The full InChI is InChI=1S/C35H56O5/c1-2-34(36)37-30-35(38-31-24-18-12-6-3-7-13-19-25-31,39-32-26-20-14-8-4-9-15-21-27-32)40-33-28-22-16-10-5-11-17-23-29-33/h2,24,26,28H,1,3-23,25,27,29-30H2/b31-24+,32-26+,33-28+.
What are the key properties of 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate?
2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate has a molecular weight of 556.83 g/mol, XLogP of 10.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate is sourced from PubChem (CID 141263807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).