1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane

C11H18 — CID 91481248

IUPAC1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane
SMILESC=C1C=CC(C)=C(C)C1.CC
InChIInChI=1S/C9H12.C2H6/c1-7-4-5-8(2)9(3)6-7;1-2/h4-5H,1,6H2,2-3H3;1-2H3
InChIKeyOZAICGCWVJFWCK-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds

About 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane

1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane (PubChem CID 91481248) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane
PubChem CID91481248
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane
SMILESC=C1C=CC(C)=C(C)C1.CC
InChIInChI=1S/C9H12.C2H6/c1-7-4-5-8(2)9(3)6-7;1-2/h4-5H,1,6H2,2-3H3;1-2H3
InChIKeyOZAICGCWVJFWCK-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane?
The IUPAC name of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane (CID 91481248) is 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane?
The canonical SMILES for 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane is C=C1C=CC(C)=C(C)C1.CC.
What is the InChIKey of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane?
The InChIKey is OZAICGCWVJFWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6/c1-7-4-5-8(2)9(3)6-7;1-2/h4-5H,1,6H2,2-3H3;1-2H3.
What are the key properties of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane?
1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane has a molecular weight of 150.26 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;ethane is sourced from PubChem (CID 91481248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).