2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene

C26H44O8 — CID 10600909

IUPAC2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
SMILESCOCCOCC1=C(COCCOC)C2C(COCCOC)=C(COCCOC)C1C2=C(C)C
InChIInChI=1S/C26H44O8/c1-19(2)24-25-20(15-31-11-7-27-3)21(16-32-12-8-28-4)26(24)23(18-34-14-10-30-6)22(25)17-33-13-9-29-5/h25-26H,7-18H2,1-6H3
InChIKeyNZLUNOLFKZXEPI-UHFFFAOYSA-N
MW484.63 g/mol
LogP2.83
Rot. Bonds20

About 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene

2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene (PubChem CID 10600909) has the molecular formula C26H44O8 and a molecular weight of 484.63 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
PubChem CID10600909
Molecular FormulaC26H44O8
Molecular Weight484.63 g/mol
Exact Mass484.30
IUPAC Name2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
SMILESCOCCOCC1=C(COCCOC)C2C(COCCOC)=C(COCCOC)C1C2=C(C)C
InChIInChI=1S/C26H44O8/c1-19(2)24-25-20(15-31-11-7-27-3)21(16-32-12-8-28-4)26(24)23(18-34-14-10-30-6)22(25)17-33-13-9-29-5/h25-26H,7-18H2,1-6H3
InChIKeyNZLUNOLFKZXEPI-UHFFFAOYSA-N
XLogP2.83
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene (CID 10600909) is 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene is COCCOCC1=C(COCCOC)C2C(COCCOC)=C(COCCOC)C1C2=C(C)C.
What is the InChIKey of 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is NZLUNOLFKZXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O8/c1-19(2)24-25-20(15-31-11-7-27-3)21(16-32-12-8-28-4)26(24)23(18-34-14-10-30-6)22(25)17-33-13-9-29-5/h25-26H,7-18H2,1-6H3.
What are the key properties of 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 484.63 g/mol, XLogP of 2.83, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 10600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).