5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane

C13H22 — CID 163855339

IUPAC5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
SMILESCC(C)C1CC2CC3CC(C)C1C32
InChIInChI=1S/C13H22/c1-7(2)11-6-10-5-9-4-8(3)12(11)13(9)10/h7-13H,4-6H2,1-3H3
InChIKeyOXULOLPXCZELLC-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.57
Rot. Bonds1

About 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane

5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane (PubChem CID 163855339) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane.

Molecular Properties

Compound Name5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
PubChem CID163855339
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
SMILESCC(C)C1CC2CC3CC(C)C1C32
InChIInChI=1S/C13H22/c1-7(2)11-6-10-5-9-4-8(3)12(11)13(9)10/h7-13H,4-6H2,1-3H3
InChIKeyOXULOLPXCZELLC-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 145198680
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
2,4,6-trimethyl-7-[1-(2-propan-2-ylcyclopropyl)ethyl]bicyclo[3.2.0]heptane
CID 123771823
4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
CID 163485393
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane?
The IUPAC name of 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane (CID 163855339) is 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane.
What is the SMILES notation for 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane?
The canonical SMILES for 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane is CC(C)C1CC2CC3CC(C)C1C32.
What is the InChIKey of 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane?
The InChIKey is OXULOLPXCZELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-7(2)11-6-10-5-9-4-8(3)12(11)13(9)10/h7-13H,4-6H2,1-3H3.
What are the key properties of 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane?
5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane has a molecular weight of 178.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane is sourced from PubChem (CID 163855339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).