19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene

C22H14 — CID 178113102

IUPAC19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene
SMILESC=Cc1c2cccc3ccc4ccc5ccc(=C)c1c5c4c32
InChIInChI=1S/C22H14/c1-3-17-18-6-4-5-14-9-10-16-12-11-15-8-7-13(2)19(17)21(15)22(16)20(14)18/h3-12H,1-2H2
InChIKeyGYIZJWJAWKYZFB-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.51
Rot. Bonds1

About 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene

19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene (PubChem CID 178113102) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene.

Molecular Properties

Compound Name19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene
PubChem CID178113102
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene
SMILESC=Cc1c2cccc3ccc4ccc5ccc(=C)c1c5c4c32
InChIInChI=1S/C22H14/c1-3-17-18-6-4-5-14-9-10-16-12-11-15-8-7-13(2)19(17)21(15)22(16)20(14)18/h3-12H,1-2H2
InChIKeyGYIZJWJAWKYZFB-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene with MolForge

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CID 14087516
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
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Frequently Asked Questions

What is the IUPAC name of 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene?
The IUPAC name of 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene (CID 178113102) is 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene.
What is the SMILES notation for 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene?
The canonical SMILES for 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene is C=Cc1c2cccc3ccc4ccc5ccc(=C)c1c5c4c32.
What is the InChIKey of 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene?
The InChIKey is GYIZJWJAWKYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-3-17-18-6-4-5-14-9-10-16-12-11-15-8-7-13(2)19(17)21(15)22(16)20(14)18/h3-12H,1-2H2.
What are the key properties of 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene?
19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene has a molecular weight of 278.35 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene is sourced from PubChem (CID 178113102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).