7-methoxybicyclo[4.1.0]hepta-1,3-diene

C8H10O — CID 91426324

IUPAC7-methoxybicyclo[4.1.0]hepta-1,3-diene
SMILESCOC1C2=CC=CCC21
InChIInChI=1S/C8H10O/c1-9-8-6-4-2-3-5-7(6)8/h2-4,7-8H,5H2,1H3
InChIKeyZCNOZJXHGZENPI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.52
Rot. Bonds1

About 7-methoxybicyclo[4.1.0]hepta-1,3-diene

7-methoxybicyclo[4.1.0]hepta-1,3-diene (PubChem CID 91426324) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 7-methoxybicyclo[4.1.0]hepta-1,3-diene.

Molecular Properties

Compound Name7-methoxybicyclo[4.1.0]hepta-1,3-diene
PubChem CID91426324
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name7-methoxybicyclo[4.1.0]hepta-1,3-diene
SMILESCOC1C2=CC=CCC21
InChIInChI=1S/C8H10O/c1-9-8-6-4-2-3-5-7(6)8/h2-4,7-8H,5H2,1H3
InChIKeyZCNOZJXHGZENPI-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methoxybicyclo[4.1.0]hepta-1,3-diene?
The IUPAC name of 7-methoxybicyclo[4.1.0]hepta-1,3-diene (CID 91426324) is 7-methoxybicyclo[4.1.0]hepta-1,3-diene.
What is the SMILES notation for 7-methoxybicyclo[4.1.0]hepta-1,3-diene?
The canonical SMILES for 7-methoxybicyclo[4.1.0]hepta-1,3-diene is COC1C2=CC=CCC21.
What is the InChIKey of 7-methoxybicyclo[4.1.0]hepta-1,3-diene?
The InChIKey is ZCNOZJXHGZENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-9-8-6-4-2-3-5-7(6)8/h2-4,7-8H,5H2,1H3.
What are the key properties of 7-methoxybicyclo[4.1.0]hepta-1,3-diene?
7-methoxybicyclo[4.1.0]hepta-1,3-diene has a molecular weight of 122.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxybicyclo[4.1.0]hepta-1,3-diene is sourced from PubChem (CID 91426324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).