(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane

C12H22 — CID 158984587

IUPAC(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
SMILESCC(C)[C@@H]1C2CCC(CC2)[C@H]1C
InChIInChI=1S/C12H22/c1-8(2)12-9(3)10-4-6-11(12)7-5-10/h8-12H,4-7H2,1-3H3/t9-,10?,11?,12+/m1/s1
InChIKeyJPKMITGIRULTDD-YYJSSNLHSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds1

About (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane

(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane (PubChem CID 158984587) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
PubChem CID158984587
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
SMILESCC(C)[C@@H]1C2CCC(CC2)[C@H]1C
InChIInChI=1S/C12H22/c1-8(2)12-9(3)10-4-6-11(12)7-5-10/h8-12H,4-7H2,1-3H3/t9-,10?,11?,12+/m1/s1
InChIKeyJPKMITGIRULTDD-YYJSSNLHSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
1,2-bis[2,3-bis(2,3-dicyclopropylcyclopropyl)cyclopropyl]-3-propan-2-ylcyclopropane
CID 153452162
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355
CID 174152167
CID 174152167
4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine
CID 123233215
(1R,2S,3S,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 167142264
11-methyl-12-propan-2-ylbicyclo[8.2.0]dodecane
CID 91043765
2-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)butanedioic acid
CID 59102887
2-methyl-3-propan-2-ylcyclopropane-1-thiol
CID 123473140
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
CID 123828648
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane?
The IUPAC name of (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane (CID 158984587) is (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane.
What is the SMILES notation for (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane?
The canonical SMILES for (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane is CC(C)[C@@H]1C2CCC(CC2)[C@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane?
The InChIKey is JPKMITGIRULTDD-YYJSSNLHSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)12-9(3)10-4-6-11(12)7-5-10/h8-12H,4-7H2,1-3H3/t9-,10?,11?,12+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane?
(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane is sourced from PubChem (CID 158984587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).