(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene

C21H14 — CID 153137523

IUPAC(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene
SMILESC=c1ccc2ccc3ccc4cc/c(=C/C)c5c4c3c2c1=5
InChIInChI=1S/C21H14/c1-3-13-6-7-15-10-11-16-9-8-14-5-4-12(2)17-18(13)20(15)21(16)19(14)17/h3-11H,2H2,1H3/b13-3-
InChIKeyVXYWQNUMTYMCKC-DXNYSGJVSA-N
MW266.34 g/mol
LogP3.96
Rot. Bonds

About (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene

(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene (PubChem CID 153137523) has the molecular formula C21H14 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene.

Molecular Properties

Compound Name(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene
PubChem CID153137523
Molecular FormulaC21H14
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene
SMILESC=c1ccc2ccc3ccc4cc/c(=C/C)c5c4c3c2c1=5
InChIInChI=1S/C21H14/c1-3-13-6-7-15-10-11-16-9-8-14-5-4-12(2)17-18(13)20(15)21(16)19(14)17/h3-11H,2H2,1H3/b13-3-
InChIKeyVXYWQNUMTYMCKC-DXNYSGJVSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene?
The IUPAC name of (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene (CID 153137523) is (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene.
What is the SMILES notation for (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene?
The canonical SMILES for (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene is C=c1ccc2ccc3ccc4cc/c(=C/C)c5c4c3c2c1=5.
What is the InChIKey of (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene?
The InChIKey is VXYWQNUMTYMCKC-DXNYSGJVSA-N. The full InChI is InChI=1S/C21H14/c1-3-13-6-7-15-10-11-16-9-8-14-5-4-12(2)17-18(13)20(15)21(16)19(14)17/h3-11H,2H2,1H3/b13-3-.
What are the key properties of (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene?
(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene has a molecular weight of 266.34 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene is sourced from PubChem (CID 153137523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).