1,1,2,4,4-pentamethylcyclohexane

C11H22 — CID 18728443

IUPAC1,1,2,4,4-pentamethylcyclohexane
SMILESCC1CC(C)(C)CCC1(C)C
InChIInChI=1S/C11H22/c1-9-8-10(2,3)6-7-11(9,4)5/h9H,6-8H2,1-5H3
InChIKeyLLIGRVQCFCODGU-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds

About 1,1,2,4,4-pentamethylcyclohexane

1,1,2,4,4-pentamethylcyclohexane (PubChem CID 18728443) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1,2,4,4-pentamethylcyclohexane.

Molecular Properties

Compound Name1,1,2,4,4-pentamethylcyclohexane
PubChem CID18728443
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1,2,4,4-pentamethylcyclohexane
SMILESCC1CC(C)(C)CCC1(C)C
InChIInChI=1S/C11H22/c1-9-8-10(2,3)6-7-11(9,4)5/h9H,6-8H2,1-5H3
InChIKeyLLIGRVQCFCODGU-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4-pentamethylcyclohexane?
The IUPAC name of 1,1,2,4,4-pentamethylcyclohexane (CID 18728443) is 1,1,2,4,4-pentamethylcyclohexane.
What is the SMILES notation for 1,1,2,4,4-pentamethylcyclohexane?
The canonical SMILES for 1,1,2,4,4-pentamethylcyclohexane is CC1CC(C)(C)CCC1(C)C.
What is the InChIKey of 1,1,2,4,4-pentamethylcyclohexane?
The InChIKey is LLIGRVQCFCODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-9-8-10(2,3)6-7-11(9,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1,1,2,4,4-pentamethylcyclohexane?
1,1,2,4,4-pentamethylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4-pentamethylcyclohexane is sourced from PubChem (CID 18728443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).