2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C17H16 — CID 168728590

IUPAC2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESC=CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H16/c1-2-15-16-9-5-3-7-13(16)11-12-14-8-4-6-10-17(14)15/h2-10,15H,1,11-12H2
InChIKeyWDDXSRABGGSTPP-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.10
Rot. Bonds1

About 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 168728590) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID168728590
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESC=CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H16/c1-2-15-16-9-5-3-7-13(16)11-12-14-8-4-6-10-17(14)15/h2-10,15H,1,11-12H2
InChIKeyWDDXSRABGGSTPP-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbaldehyde
CID 139402521
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
CID 142216483
(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 87326008
2-(4-methylphenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 134951940
1-ethenyl-2,3-dihydro-1H-isoindole
CID 89142586
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 14091111
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453
(3aR,9bR)-1-propan-2-ylidene-3-prop-2-enyl-3a,4,5,9b-tetrahydro-2H-benzo[e]indole
CID 139188466
2-prop-2-enyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 46933099
CID 15963515
CID 15963515
1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15645399

Frequently Asked Questions

What is the IUPAC name of 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 168728590) is 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is C=CC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is WDDXSRABGGSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-2-15-16-9-5-3-7-13(16)11-12-14-8-4-6-10-17(14)15/h2-10,15H,1,11-12H2.
What are the key properties of 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 220.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 168728590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).