1,6-dimethyl-5-methylidenecyclohexa-1,3-diene

C9H12 — CID 141384688

IUPAC1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=C(C)C1C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6,9H,1H2,2-3H3
InChIKeyFJARTEZWHWXZAD-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds

About 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene

1,6-dimethyl-5-methylidenecyclohexa-1,3-diene (PubChem CID 141384688) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
PubChem CID141384688
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=C(C)C1C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6,9H,1H2,2-3H3
InChIKeyFJARTEZWHWXZAD-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene (CID 141384688) is 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene is C=C1C=CC=C(C)C1C.
What is the InChIKey of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene?
The InChIKey is FJARTEZWHWXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6,9H,1H2,2-3H3.
What are the key properties of 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene?
1,6-dimethyl-5-methylidenecyclohexa-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 141384688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).