1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene

C13H20 — CID 13480441

IUPAC1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C(C)=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C13H20/c1-8-9(2)11(4)13(6,7)12(5)10(8)3/h4H2,1-3,5-7H3
InChIKeyUZBOPKZCGLZSIC-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds

About 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene

1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene (PubChem CID 13480441) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene
PubChem CID13480441
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C(C)=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C13H20/c1-8-9(2)11(4)13(6,7)12(5)10(8)3/h4H2,1-3,5-7H3
InChIKeyUZBOPKZCGLZSIC-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene (CID 13480441) is 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene is C=C1C(C)=C(C)C(C)=C(C)C1(C)C.
What is the InChIKey of 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene?
The InChIKey is UZBOPKZCGLZSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-8-9(2)11(4)13(6,7)12(5)10(8)3/h4H2,1-3,5-7H3.
What are the key properties of 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene?
1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5-hexamethyl-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 13480441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).