3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene

C11H12 — CID 46210916

IUPAC3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene
SMILESC=C=CC1(C)C=CC(=C)C=C1
InChIInChI=1S/C11H12/c1-4-7-11(3)8-5-10(2)6-9-11/h5-9H,1-2H2,3H3
InChIKeyQGLHEYQUQZZZHE-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.02
Rot. Bonds1

About 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene

3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene (PubChem CID 46210916) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene
PubChem CID46210916
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene
SMILESC=C=CC1(C)C=CC(=C)C=C1
InChIInChI=1S/C11H12/c1-4-7-11(3)8-5-10(2)6-9-11/h5-9H,1-2H2,3H3
InChIKeyQGLHEYQUQZZZHE-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene?
The IUPAC name of 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene (CID 46210916) is 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene.
What is the SMILES notation for 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene?
The canonical SMILES for 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene is C=C=CC1(C)C=CC(=C)C=C1.
What is the InChIKey of 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene?
The InChIKey is QGLHEYQUQZZZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-4-7-11(3)8-5-10(2)6-9-11/h5-9H,1-2H2,3H3.
What are the key properties of 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene?
3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene has a molecular weight of 144.22 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-3-propa-1,2-dienylcyclohexa-1,4-diene is sourced from PubChem (CID 46210916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).