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

C18H28O4 — CID 10852334

IUPAC2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
SMILESCOCC1=C(COC)C2C(COC)=C(COC)C1C2=C(C)C
InChIInChI=1S/C18H28O4/c1-11(2)16-17-12(7-19-3)13(8-20-4)18(16)15(10-22-6)14(17)9-21-5/h17-18H,7-10H2,1-6H3
InChIKeyIAHJCNQKKIICBW-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.76
Rot. Bonds8

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

2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene (PubChem CID 10852334) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
PubChem CID10852334
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
SMILESCOCC1=C(COC)C2C(COC)=C(COC)C1C2=C(C)C
InChIInChI=1S/C18H28O4/c1-11(2)16-17-12(7-19-3)13(8-20-4)18(16)15(10-22-6)14(17)9-21-5/h17-18H,7-10H2,1-6H3
InChIKeyIAHJCNQKKIICBW-UHFFFAOYSA-N
XLogP2.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 164677744
1,5-Bis(methoxymethyl)cyclohexene
CID 68340970
2,3-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 140275862
2,3,5,6-Tetrakis(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10600909
(1R,4R)-2,3,5-tris(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10644449
(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10706752
(1S,4R)-2,3-bis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10822820
2,3-Bis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 21638116
2,3,5-Tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 21638117
2,3,5-Tris(2-methoxyethoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 21638119
2,3,5,6-Tetrakis(methoxymethyl)-3',3'-dimethylspiro[bicyclo[2.2.1]hepta-2,5-diene-7,2'-oxirane]
CID 100993611

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene (CID 10852334) is 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene is COCC1=C(COC)C2C(COC)=C(COC)C1C2=C(C)C.
What is the InChIKey of 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is IAHJCNQKKIICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-11(2)16-17-12(7-19-3)13(8-20-4)18(16)15(10-22-6)14(17)9-21-5/h17-18H,7-10H2,1-6H3.
What are the key properties of 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 308.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 10852334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).