bicyclo[2.2.0]hexa-1,3,5-triene;methane

C7H8 — CID 23513401

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;methane
SMILESC.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4/c1-2-6-4-3-5(1)6;/h1-4H;1H4
InChIKeyRBBLHTFFPGXOAN-UHFFFAOYSA-N
MW92.14 g/mol
LogP2.30
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;methane

bicyclo[2.2.0]hexa-1,3,5-triene;methane (PubChem CID 23513401) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;methane.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;methane
PubChem CID23513401
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;methane
SMILESC.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4/c1-2-6-4-3-5(1)6;/h1-4H;1H4
InChIKeyRBBLHTFFPGXOAN-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methane?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methane (CID 23513401) is bicyclo[2.2.0]hexa-1,3,5-triene;methane.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;methane?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;methane is C.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;methane?
The InChIKey is RBBLHTFFPGXOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH4/c1-2-6-4-3-5(1)6;/h1-4H;1H4.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;methane?
bicyclo[2.2.0]hexa-1,3,5-triene;methane has a molecular weight of 92.14 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;methane is sourced from PubChem (CID 23513401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).