5-methyl-6-methylidenecyclohexa-1,2,4-triene

C8H8 — CID 57000988

IUPAC5-methyl-6-methylidenecyclohexa-1,2,4-triene
SMILESC=C1C=C=CC=C1C
InChIInChI=1S/C8H8/c1-7-5-3-4-6-8(7)2/h4-6H,1H2,2H3
InChIKeyDLYLIXSOCHYMQO-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.21
Rot. Bonds

About 5-methyl-6-methylidenecyclohexa-1,2,4-triene

5-methyl-6-methylidenecyclohexa-1,2,4-triene (PubChem CID 57000988) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 5-methyl-6-methylidenecyclohexa-1,2,4-triene.

Molecular Properties

Compound Name5-methyl-6-methylidenecyclohexa-1,2,4-triene
PubChem CID57000988
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name5-methyl-6-methylidenecyclohexa-1,2,4-triene
SMILESC=C1C=C=CC=C1C
InChIInChI=1S/C8H8/c1-7-5-3-4-6-8(7)2/h4-6H,1H2,2H3
InChIKeyDLYLIXSOCHYMQO-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidenecyclohexa-1,2,4-triene?
The IUPAC name of 5-methyl-6-methylidenecyclohexa-1,2,4-triene (CID 57000988) is 5-methyl-6-methylidenecyclohexa-1,2,4-triene.
What is the SMILES notation for 5-methyl-6-methylidenecyclohexa-1,2,4-triene?
The canonical SMILES for 5-methyl-6-methylidenecyclohexa-1,2,4-triene is C=C1C=C=CC=C1C.
What is the InChIKey of 5-methyl-6-methylidenecyclohexa-1,2,4-triene?
The InChIKey is DLYLIXSOCHYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-7-5-3-4-6-8(7)2/h4-6H,1H2,2H3.
What are the key properties of 5-methyl-6-methylidenecyclohexa-1,2,4-triene?
5-methyl-6-methylidenecyclohexa-1,2,4-triene has a molecular weight of 104.15 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidenecyclohexa-1,2,4-triene is sourced from PubChem (CID 57000988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).