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

C10H20 — CID 159184237

IUPACethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
SMILESCC.C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14.C2H6/c1-6-4-7-2-3-8(6)5-7;1-2/h6-8H,2-5H2,1H3;1-2H3/t6-,7-,8-;/m1./s1
InChIKeyKNGXYIGSKHPHJL-QTPPMTSNSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds

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

ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane (PubChem CID 159184237) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
PubChem CID159184237
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
SMILESCC.C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H14.C2H6/c1-6-4-7-2-3-8(6)5-7;1-2/h6-8H,2-5H2,1H3;1-2H3/t6-,7-,8-;/m1./s1
InChIKeyKNGXYIGSKHPHJL-QTPPMTSNSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(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
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
CID 144841146
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

Frequently Asked Questions

What is the IUPAC name of ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane (CID 159184237) is ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane is CC.C[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane?
The InChIKey is KNGXYIGSKHPHJL-QTPPMTSNSA-N. The full InChI is InChI=1S/C8H14.C2H6/c1-6-4-7-2-3-8(6)5-7;1-2/h6-8H,2-5H2,1H3;1-2H3/t6-,7-,8-;/m1./s1.
What are the key properties of ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane?
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 159184237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).