1,2,3,4,5-pentamethylcyclohexa-1,3-diene

C11H18 — CID 14737646

IUPAC1,2,3,4,5-pentamethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(C)=C(C)C(C)C1
InChIInChI=1S/C11H18/c1-7-6-8(2)10(4)11(5)9(7)3/h7H,6H2,1-5H3
InChIKeyGUUPAQLBMMJUIZ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds

About 1,2,3,4,5-pentamethylcyclohexa-1,3-diene

1,2,3,4,5-pentamethylcyclohexa-1,3-diene (PubChem CID 14737646) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylcyclohexa-1,3-diene
PubChem CID14737646
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,2,3,4,5-pentamethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(C)=C(C)C(C)C1
InChIInChI=1S/C11H18/c1-7-6-8(2)10(4)11(5)9(7)3/h7H,6H2,1-5H3
InChIKeyGUUPAQLBMMJUIZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-pentamethylcyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentamethylcyclohexa-1,3-diene (CID 14737646) is 1,2,3,4,5-pentamethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentamethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentamethylcyclohexa-1,3-diene is CC1=C(C)C(C)=C(C)C(C)C1.
What is the InChIKey of 1,2,3,4,5-pentamethylcyclohexa-1,3-diene?
The InChIKey is GUUPAQLBMMJUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7-6-8(2)10(4)11(5)9(7)3/h7H,6H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentamethylcyclohexa-1,3-diene?
1,2,3,4,5-pentamethylcyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 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-pentamethylcyclohexa-1,3-diene is sourced from PubChem (CID 14737646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).