ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane

C12H24 — CID 142979197

IUPACethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC.C[C@@H]1CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H18.C2H6/c1-7-4-5-8-6-9(7)10(8,2)3;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8-,9-;/m1./s1
InChIKeyKFZUDZUKEKEBLP-AQLQUXDBSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds

About ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane

ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 142979197) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
PubChem CID142979197
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC.C[C@@H]1CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H18.C2H6/c1-7-4-5-8-6-9(7)10(8,2)3;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8-,9-;/m1./s1
InChIKeyKFZUDZUKEKEBLP-AQLQUXDBSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
CID 175847104
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 24943249
zinc bis(2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 19695024
(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
CID 134864548

Frequently Asked Questions

What is the IUPAC name of ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane (CID 142979197) is ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane is CC.C[C@@H]1CC[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is KFZUDZUKEKEBLP-AQLQUXDBSA-N. The full InChI is InChI=1S/C10H18.C2H6/c1-7-4-5-8-6-9(7)10(8,2)3;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8-,9-;/m1./s1.
What are the key properties of ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane?
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 142979197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).