2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol

C19H20O2 — CID 10945846

IUPAC2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol
SMILESOCCOCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H20O2/c20-12-14-21-13-11-19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,11,20H,9-10,12-14H2
InChIKeyAYVXXZLEGKWQBF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol

2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol (PubChem CID 10945846) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol
PubChem CID10945846
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol
SMILESOCCOCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H20O2/c20-12-14-21-13-11-19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,11,20H,9-10,12-14H2
InChIKeyAYVXXZLEGKWQBF-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol (CID 10945846) is 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol is OCCOCC=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol?
The InChIKey is AYVXXZLEGKWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-12-14-21-13-11-19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,11,20H,9-10,12-14H2.
What are the key properties of 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol?
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]ethanol is sourced from PubChem (CID 10945846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).