1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane

C15H28 — CID 123650644

IUPAC1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane
SMILESCC1C(C)C2(C)CC(C)(C1(C)C)C2(C)C
InChIInChI=1S/C15H28/c1-10-11(2)14(7)9-15(8,12(10,3)4)13(14,5)6/h10-11H,9H2,1-8H3
InChIKeyUKPPEOICLSQWOE-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds

About 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane

1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane (PubChem CID 123650644) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane
PubChem CID123650644
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane
SMILESCC1C(C)C2(C)CC(C)(C1(C)C)C2(C)C
InChIInChI=1S/C15H28/c1-10-11(2)14(7)9-15(8,12(10,3)4)13(14,5)6/h10-11H,9H2,1-8H3
InChIKeyUKPPEOICLSQWOE-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane
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(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
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1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane?
The IUPAC name of 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane (CID 123650644) is 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane.
What is the SMILES notation for 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane?
The canonical SMILES for 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane is CC1C(C)C2(C)CC(C)(C1(C)C)C2(C)C.
What is the InChIKey of 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane?
The InChIKey is UKPPEOICLSQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-10-11(2)14(7)9-15(8,12(10,3)4)13(14,5)6/h10-11H,9H2,1-8H3.
What are the key properties of 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane?
1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane has a molecular weight of 208.39 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 1,2,2,3,4,5,6,6-octamethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 123650644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).