(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane

C11H20 — CID 162406126

IUPAC(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
SMILESC[C@@H]1CC2[C@H](C)CC1C[C@@H]2C
InChIInChI=1S/C11H20/c1-7-6-11-8(2)4-10(7)5-9(11)3/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10?,11?/m1/s1
InChIKeyBONYBDOTWUUPKZ-GLAPFTFBSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds

About (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane

(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane (PubChem CID 162406126) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
PubChem CID162406126
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
SMILESC[C@@H]1CC2[C@H](C)CC1C[C@@H]2C
InChIInChI=1S/C11H20/c1-7-6-11-8(2)4-10(7)5-9(11)3/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10?,11?/m1/s1
InChIKeyBONYBDOTWUUPKZ-GLAPFTFBSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
3,6-dimethyltricyclo[3.3.0.02,8]octane
CID 123298522
N,6-dimethylbicyclo[3.2.0]heptan-3-amine
CID 129173155

Frequently Asked Questions

What is the IUPAC name of (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane?
The IUPAC name of (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane (CID 162406126) is (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane.
What is the SMILES notation for (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane?
The canonical SMILES for (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane is C[C@@H]1CC2[C@H](C)CC1C[C@@H]2C.
What is the InChIKey of (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane?
The InChIKey is BONYBDOTWUUPKZ-GLAPFTFBSA-N. The full InChI is InChI=1S/C11H20/c1-7-6-11-8(2)4-10(7)5-9(11)3/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10?,11?/m1/s1.
What are the key properties of (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane?
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane is sourced from PubChem (CID 162406126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).