1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene

C11H16 — CID 121222805

IUPAC1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=C(C)C(C)(C)C=C1C
InChIInChI=1S/C11H16/c1-8-6-10(3)11(4,5)7-9(8)2/h6-7H,1H2,2-5H3
InChIKeyYXSOOFIJUZQDEE-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds

About 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene

1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene (PubChem CID 121222805) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene
PubChem CID121222805
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=C(C)C(C)(C)C=C1C
InChIInChI=1S/C11H16/c1-8-6-10(3)11(4,5)7-9(8)2/h6-7H,1H2,2-5H3
InChIKeyYXSOOFIJUZQDEE-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene (CID 121222805) is 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene is C=C1C=C(C)C(C)(C)C=C1C.
What is the InChIKey of 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene?
The InChIKey is YXSOOFIJUZQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-10(3)11(4,5)7-9(8)2/h6-7H,1H2,2-5H3.
What are the key properties of 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene?
1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 121222805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).