1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane

C15H28 — CID 123829130

IUPAC1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
SMILESCC1C2CC(C)(C(C)CC2(C)C)C1(C)C
InChIInChI=1S/C15H28/c1-10-8-13(3,4)12-9-15(10,7)14(5,6)11(12)2/h10-12H,8-9H2,1-7H3
InChIKeySJSYKTGTWMNXMD-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds

About 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane

1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane (PubChem CID 123829130) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
PubChem CID123829130
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
SMILESCC1C2CC(C)(C(C)CC2(C)C)C1(C)C
InChIInChI=1S/C15H28/c1-10-8-13(3,4)12-9-15(10,7)14(5,6)11(12)2/h10-12H,8-9H2,1-7H3
InChIKeySJSYKTGTWMNXMD-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

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
CID 123956231
1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
CID 123302088
1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
CID 91324406
1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane
CID 123919039
(1S,3S,4S,7R,8R)-1,3,4,6,6-pentamethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 91749850
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
CID 162401464
CID 162401464
1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
CID 123154138
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane?
The IUPAC name of 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane (CID 123829130) is 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane.
What is the SMILES notation for 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane?
The canonical SMILES for 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane is CC1C2CC(C)(C(C)CC2(C)C)C1(C)C.
What is the InChIKey of 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane?
The InChIKey is SJSYKTGTWMNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-10-8-13(3,4)12-9-15(10,7)14(5,6)11(12)2/h10-12H,8-9H2,1-7H3.
What are the key properties of 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane?
1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane 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 1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane is sourced from PubChem (CID 123829130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).