2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate

C20H18O2 — CID 175558627

IUPAC2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC=CC=C2C=CC=CC=CC=C21
InChIInChI=1S/C20H18O2/c1-16(2)20(21)22-19-15-11-7-6-9-13-17-12-8-4-3-5-10-14-18(17)19/h3-15H,1H2,2H3
InChIKeyVRALDTMNLPCRBX-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.65
Rot. Bonds2

About 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate

2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate (PubChem CID 175558627) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate
PubChem CID175558627
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC=CC=C2C=CC=CC=CC=C21
InChIInChI=1S/C20H18O2/c1-16(2)20(21)22-19-15-11-7-6-9-13-17-12-8-4-3-5-10-14-18(17)19/h3-15H,1H2,2H3
InChIKeyVRALDTMNLPCRBX-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate with MolForge

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Related Compounds

heptalen-1-yl prop-2-enoate
CID 164546545
(2-methylpentalen-1-yl) 2-methylprop-2-enoate
CID 164546711
(2,3-dimethylpentalen-1-yl) 2-methylprop-2-enoate
CID 164546607
[2-(2-methylprop-2-enoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylprop-2-enoate
CID 139783788
[(1Z,3E,5E)-cyclodeca-1,3,5-trien-1-yl] 2-methylprop-2-enoate
CID 140539298
spiro[4.4]nona-1,3,6,8-tetraen-4-yl 2-methylprop-2-enoate
CID 164546891
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate
CID 164546604
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
[6-[2-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,5-dien-1-yl] 2-methylprop-2-enoate
CID 143953930
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate?
The IUPAC name of 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate (CID 175558627) is 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate?
The canonical SMILES for 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC=CC=CC=C2C=CC=CC=CC=C21.
What is the InChIKey of 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate?
The InChIKey is VRALDTMNLPCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-16(2)20(21)22-19-15-11-7-6-9-13-17-12-8-4-3-5-10-14-18(17)19/h3-15H,1H2,2H3.
What are the key properties of 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate?
2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate has a molecular weight of 290.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[7.7.0]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl 2-methylprop-2-enoate is sourced from PubChem (CID 175558627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).