1,1,2,2,5,5,6,6-octamethylcyclooctane

C16H32 — CID 59222923

IUPAC1,1,2,2,5,5,6,6-octamethylcyclooctane
SMILESCC1(C)CCC(C)(C)C(C)(C)CCC1(C)C
InChIInChI=1S/C16H32/c1-13(2)9-10-15(5,6)16(7,8)12-11-14(13,3)4/h9-12H2,1-8H3
InChIKeySRCJKGDGWZVLIW-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds

About 1,1,2,2,5,5,6,6-octamethylcyclooctane

1,1,2,2,5,5,6,6-octamethylcyclooctane (PubChem CID 59222923) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,1,2,2,5,5,6,6-octamethylcyclooctane.

Molecular Properties

Compound Name1,1,2,2,5,5,6,6-octamethylcyclooctane
PubChem CID59222923
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,1,2,2,5,5,6,6-octamethylcyclooctane
SMILESCC1(C)CCC(C)(C)C(C)(C)CCC1(C)C
InChIInChI=1S/C16H32/c1-13(2)9-10-15(5,6)16(7,8)12-11-14(13,3)4/h9-12H2,1-8H3
InChIKeySRCJKGDGWZVLIW-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,5,5,6,6-octamethylcyclooctane?
The IUPAC name of 1,1,2,2,5,5,6,6-octamethylcyclooctane (CID 59222923) is 1,1,2,2,5,5,6,6-octamethylcyclooctane.
What is the SMILES notation for 1,1,2,2,5,5,6,6-octamethylcyclooctane?
The canonical SMILES for 1,1,2,2,5,5,6,6-octamethylcyclooctane is CC1(C)CCC(C)(C)C(C)(C)CCC1(C)C.
What is the InChIKey of 1,1,2,2,5,5,6,6-octamethylcyclooctane?
The InChIKey is SRCJKGDGWZVLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-13(2)9-10-15(5,6)16(7,8)12-11-14(13,3)4/h9-12H2,1-8H3.
What are the key properties of 1,1,2,2,5,5,6,6-octamethylcyclooctane?
1,1,2,2,5,5,6,6-octamethylcyclooctane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,5,5,6,6-octamethylcyclooctane is sourced from PubChem (CID 59222923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).