7-methoxybicyclo[2.2.1]hepta-2,5-diene

C8H10O — CID 14249387

IUPAC7-methoxybicyclo[2.2.1]hepta-2,5-diene
SMILESCOC1C2C=CC1C=C2
InChIInChI=1S/C8H10O/c1-9-8-6-2-3-7(8)5-4-6/h2-8H,1H3
InChIKeyCSEAHTNCYSJWTI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.37
Rot. Bonds1

About 7-methoxybicyclo[2.2.1]hepta-2,5-diene

7-methoxybicyclo[2.2.1]hepta-2,5-diene (PubChem CID 14249387) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 7-methoxybicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name7-methoxybicyclo[2.2.1]hepta-2,5-diene
PubChem CID14249387
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name7-methoxybicyclo[2.2.1]hepta-2,5-diene
SMILESCOC1C2C=CC1C=C2
InChIInChI=1S/C8H10O/c1-9-8-6-2-3-7(8)5-4-6/h2-8H,1H3
InChIKeyCSEAHTNCYSJWTI-UHFFFAOYSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxybicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 7-methoxybicyclo[2.2.1]hepta-2,5-diene (CID 14249387) is 7-methoxybicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 7-methoxybicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 7-methoxybicyclo[2.2.1]hepta-2,5-diene is COC1C2C=CC1C=C2.
What is the InChIKey of 7-methoxybicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is CSEAHTNCYSJWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-9-8-6-2-3-7(8)5-4-6/h2-8H,1H3.
What are the key properties of 7-methoxybicyclo[2.2.1]hepta-2,5-diene?
7-methoxybicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 122.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxybicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 14249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).