2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane

C12H22 — CID 59941268

IUPAC2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)CC1C2CCC(C2)C1C
InChIInChI=1S/C12H22/c1-8(2)6-12-9(3)10-4-5-11(12)7-10/h8-12H,4-7H2,1-3H3
InChIKeyTUICAJVCWWYOBY-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds2

About 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane

2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane (PubChem CID 59941268) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
PubChem CID59941268
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)CC1C2CCC(C2)C1C
InChIInChI=1S/C12H22/c1-8(2)6-12-9(3)10-4-5-11(12)7-10/h8-12H,4-7H2,1-3H3
InChIKeyTUICAJVCWWYOBY-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]butan-1-ol
CID 67950573
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
2-(2-methylpropyl)bicyclo[1.1.0]butane
CID 123355318
(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
2-methyl-3-(sulfanyloxymethyl)bicyclo[2.2.1]heptane
CID 137452260
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
2,3-dimethylbicyclo[2.2.1]heptane;methoxymethane
CID 123361313
2,6-dimethyl-3,7-bis(2-methylpropyl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 91321156
6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane (CID 59941268) is 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane is CC(C)CC1C2CCC(C2)C1C.
What is the InChIKey of 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane?
The InChIKey is TUICAJVCWWYOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)6-12-9(3)10-4-5-11(12)7-10/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane?
2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 59941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).