1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane

C16H28 — CID 91455245

IUPAC1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane
SMILESCC1C(C)C2(C)C1(C)C1(C)CC(C)(C)C12C
InChIInChI=1S/C16H28/c1-10-11(2)15(7)14(10,6)13(5)9-12(3,4)16(13,15)8/h10-11H,9H2,1-8H3
InChIKeySSUNPAKAQBPUDO-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.74
Rot. Bonds

About 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane

1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane (PubChem CID 91455245) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane.

Molecular Properties

Compound Name1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane
PubChem CID91455245
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane
SMILESCC1C(C)C2(C)C1(C)C1(C)CC(C)(C)C12C
InChIInChI=1S/C16H28/c1-10-11(2)15(7)14(10,6)13(5)9-12(3,4)16(13,15)8/h10-11H,9H2,1-8H3
InChIKeySSUNPAKAQBPUDO-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane?
The IUPAC name of 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane (CID 91455245) is 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane.
What is the SMILES notation for 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane?
The canonical SMILES for 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane is CC1C(C)C2(C)C1(C)C1(C)CC(C)(C)C12C.
What is the InChIKey of 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane?
The InChIKey is SSUNPAKAQBPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-10-11(2)15(7)14(10,6)13(5)9-12(3,4)16(13,15)8/h10-11H,9H2,1-8H3.
What are the key properties of 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane?
1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane has a molecular weight of 220.40 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane is sourced from PubChem (CID 91455245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).