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

C20H22O2 — CID 10880940

IUPAC3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol
SMILESOCCCOCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H22O2/c21-13-5-14-22-15-12-20-18-8-3-1-6-16(18)10-11-17-7-2-4-9-19(17)20/h1-4,6-9,12,21H,5,10-11,13-15H2
InChIKeyOUQGWPYDNKAOPB-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.62
Rot. Bonds5

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

3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol (PubChem CID 10880940) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol
PubChem CID10880940
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol
SMILESOCCCOCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H22O2/c21-13-5-14-22-15-12-20-18-8-3-1-6-16(18)10-11-17-7-2-4-9-19(17)20/h1-4,6-9,12,21H,5,10-11,13-15H2
InChIKeyOUQGWPYDNKAOPB-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.62
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 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol (CID 10880940) is 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol is OCCCOCC=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol?
The InChIKey is OUQGWPYDNKAOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-13-5-14-22-15-12-20-18-8-3-1-6-16(18)10-11-17-7-2-4-9-19(17)20/h1-4,6-9,12,21H,5,10-11,13-15H2.
What are the key properties of 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol?
3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethoxy]propan-1-ol is sourced from PubChem (CID 10880940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).