ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene

C11H16 — CID 91340652

IUPACethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene
SMILESC=c1cccc(C)c1=C.CC
InChIInChI=1S/C9H10.C2H6/c1-7-5-4-6-8(2)9(7)3;1-2/h4-6H,1,3H2,2H3;1-2H3
InChIKeyRJTGLFUVSFPUBJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.84
Rot. Bonds

About ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene

ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene (PubChem CID 91340652) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene
PubChem CID91340652
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nameethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene
SMILESC=c1cccc(C)c1=C.CC
InChIInChI=1S/C9H10.C2H6/c1-7-5-4-6-8(2)9(7)3;1-2/h4-6H,1,3H2,2H3;1-2H3
InChIKeyRJTGLFUVSFPUBJ-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene?
The IUPAC name of ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene (CID 91340652) is ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene?
The canonical SMILES for ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene is C=c1cccc(C)c1=C.CC.
What is the InChIKey of ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene?
The InChIKey is RJTGLFUVSFPUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C2H6/c1-7-5-4-6-8(2)9(7)3;1-2/h4-6H,1,3H2,2H3;1-2H3.
What are the key properties of ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene?
ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5,6-dimethylidenecyclohexa-1,3-diene is sourced from PubChem (CID 91340652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).