[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate

C14H18O2 — CID 140539298

IUPAC[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C1=C\C=C\C=C/CCCC1
InChIInChI=1S/C14H18O2/c1-12(2)14(15)16-13-10-8-6-4-3-5-7-9-11-13/h3-4,6,8,10H,1,5,7,9,11H2,2H3/b4-3-,8-6+,13-10-
InChIKeyLJOUBELCFSOZLC-TYVKVRJNSA-N
MW218.30 g/mol
LogP3.68
Rot. Bonds2

About [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate

[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate (PubChem CID 140539298) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate
PubChem CID140539298
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C1=C\C=C\C=C/CCCC1
InChIInChI=1S/C14H18O2/c1-12(2)14(15)16-13-10-8-6-4-3-5-7-9-11-13/h3-4,6,8,10H,1,5,7,9,11H2,2H3/b4-3-,8-6+,13-10-
InChIKeyLJOUBELCFSOZLC-TYVKVRJNSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid
CID 77225013
acetic acid;cycloocta-1,3-diene;rhodium
CID 173076417
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
cyclohexene;bis(2-methylprop-2-enoic acid)
CID 67655810
spiro[4.4]nona-1,3,6,8-tetraen-4-yl 2-methylprop-2-enoate
CID 164546891
cyclohexa-1,3-dien-1-yl 2,2-dimethylpropanoate
CID 159378750
[4-[2,3-difluoro-4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl] 2-methylprop-2-enoate
CID 137428591
di(cyclopenten-1-yloxy)methyl 2-methylprop-2-enoate
CID 54163706
2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate
CID 175558627
2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate
CID 155219783
methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate
CID 10988724
(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 173020706

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate (CID 140539298) is [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)O/C1=C\C=C\C=C/CCCC1.
What is the InChIKey of [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate?
The InChIKey is LJOUBELCFSOZLC-TYVKVRJNSA-N. The full InChI is InChI=1S/C14H18O2/c1-12(2)14(15)16-13-10-8-6-4-3-5-7-9-11-13/h3-4,6,8,10H,1,5,7,9,11H2,2H3/b4-3-,8-6+,13-10-.
What are the key properties of [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate?
[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 140539298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).