11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene

C18H16 — CID 123702509

IUPAC11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
SMILESCC=C1c2ccccc2C2CC2c2ccccc21
InChIInChI=1S/C18H16/c1-2-12-13-7-3-5-9-15(13)17-11-18(17)16-10-6-4-8-14(12)16/h2-10,17-18H,11H2,1H3
InChIKeyNIFKZANCMNLIHT-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.72
Rot. Bonds

About 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene

11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene (PubChem CID 123702509) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene.

Molecular Properties

Compound Name11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
PubChem CID123702509
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
SMILESCC=C1c2ccccc2C2CC2c2ccccc21
InChIInChI=1S/C18H16/c1-2-12-13-7-3-5-9-15(13)17-11-18(17)16-10-6-4-8-14(12)16/h2-10,17-18H,11H2,1H3
InChIKeyNIFKZANCMNLIHT-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
The IUPAC name of 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene (CID 123702509) is 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene.
What is the SMILES notation for 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
The canonical SMILES for 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene is CC=C1c2ccccc2C2CC2c2ccccc21.
What is the InChIKey of 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
The InChIKey is NIFKZANCMNLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-2-12-13-7-3-5-9-15(13)17-11-18(17)16-10-6-4-8-14(12)16/h2-10,17-18H,11H2,1H3.
What are the key properties of 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene has a molecular weight of 232.33 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene is sourced from PubChem (CID 123702509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).