1,4,5,5,6-pentamethylcyclohexene

C11H20 — CID 123644891

IUPAC1,4,5,5,6-pentamethylcyclohexene
SMILESCC1=CCC(C)C(C)(C)C1C
InChIInChI=1S/C11H20/c1-8-6-7-9(2)11(4,5)10(8)3/h6,9-10H,7H2,1-5H3
InChIKeyCRYLLQNJFCAQDB-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds

About 1,4,5,5,6-pentamethylcyclohexene

1,4,5,5,6-pentamethylcyclohexene (PubChem CID 123644891) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1,4,5,5,6-pentamethylcyclohexene.

Molecular Properties

Compound Name1,4,5,5,6-pentamethylcyclohexene
PubChem CID123644891
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1,4,5,5,6-pentamethylcyclohexene
SMILESCC1=CCC(C)C(C)(C)C1C
InChIInChI=1S/C11H20/c1-8-6-7-9(2)11(4,5)10(8)3/h6,9-10H,7H2,1-5H3
InChIKeyCRYLLQNJFCAQDB-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5,6-pentamethylcyclohexene?
The IUPAC name of 1,4,5,5,6-pentamethylcyclohexene (CID 123644891) is 1,4,5,5,6-pentamethylcyclohexene.
What is the SMILES notation for 1,4,5,5,6-pentamethylcyclohexene?
The canonical SMILES for 1,4,5,5,6-pentamethylcyclohexene is CC1=CCC(C)C(C)(C)C1C.
What is the InChIKey of 1,4,5,5,6-pentamethylcyclohexene?
The InChIKey is CRYLLQNJFCAQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8-6-7-9(2)11(4,5)10(8)3/h6,9-10H,7H2,1-5H3.
What are the key properties of 1,4,5,5,6-pentamethylcyclohexene?
1,4,5,5,6-pentamethylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,6-pentamethylcyclohexene is sourced from PubChem (CID 123644891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).