(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane

C8H14 — CID 98050554

IUPAC(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
SMILESC[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyKWSARSUDWPZTFF-GJMOJQLCSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds

About (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane

(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane (PubChem CID 98050554) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
PubChem CID98050554
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
SMILESC[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyKWSARSUDWPZTFF-GJMOJQLCSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(3S)-9-methyl-4-thiatricyclo[6.2.2.13,6]tridecane
CID 146233668
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
tricyclo[5.3.2.04,9]dodecane
CID 54490019

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane (CID 98050554) is (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane is C[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane?
The InChIKey is KWSARSUDWPZTFF-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane?
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane has a molecular weight of 110.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 98050554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).