ethane;trans-(1R,2R)-1,2-dimethylcyclopentane

C9H20 — CID 91129712

IUPACethane;trans-(1R,2R)-1,2-dimethylcyclopentane
SMILESCC.C[C@@H]1CCC[C@H]1C
InChIInChI=1S/C7H14.C2H6/c1-6-4-3-5-7(6)2;1-2/h6-7H,3-5H2,1-2H3;1-2H3/t6-,7-;/m1./s1
InChIKeyODNTXLORTJSYMR-ZJLYAJKPSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds

About ethane;trans-(1R,2R)-1,2-dimethylcyclopentane

ethane;trans-(1R,2R)-1,2-dimethylcyclopentane (PubChem CID 91129712) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is ethane;trans-(1R,2R)-1,2-dimethylcyclopentane.

Molecular Properties

Compound Nameethane;trans-(1R,2R)-1,2-dimethylcyclopentane
PubChem CID91129712
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Nameethane;trans-(1R,2R)-1,2-dimethylcyclopentane
SMILESCC.C[C@@H]1CCC[C@H]1C
InChIInChI=1S/C7H14.C2H6/c1-6-4-3-5-7(6)2;1-2/h6-7H,3-5H2,1-2H3;1-2H3/t6-,7-;/m1./s1
InChIKeyODNTXLORTJSYMR-ZJLYAJKPSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
dichlorotitanium;1,2-dimethylcyclopentane
CID 174468926
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
CID 160659985
CID 134889664
CID 134889664
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785

Frequently Asked Questions

What is the IUPAC name of ethane;trans-(1R,2R)-1,2-dimethylcyclopentane?
The IUPAC name of ethane;trans-(1R,2R)-1,2-dimethylcyclopentane (CID 91129712) is ethane;trans-(1R,2R)-1,2-dimethylcyclopentane.
What is the SMILES notation for ethane;trans-(1R,2R)-1,2-dimethylcyclopentane?
The canonical SMILES for ethane;trans-(1R,2R)-1,2-dimethylcyclopentane is CC.C[C@@H]1CCC[C@H]1C.
What is the InChIKey of ethane;trans-(1R,2R)-1,2-dimethylcyclopentane?
The InChIKey is ODNTXLORTJSYMR-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H14.C2H6/c1-6-4-3-5-7(6)2;1-2/h6-7H,3-5H2,1-2H3;1-2H3/t6-,7-;/m1./s1.
What are the key properties of ethane;trans-(1R,2R)-1,2-dimethylcyclopentane?
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane has a molecular weight of 128.26 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;trans-(1R,2R)-1,2-dimethylcyclopentane is sourced from PubChem (CID 91129712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).