ethane;(2S)-1-ethyl-2-propylcyclohexane

C13H28 — CID 143012565

IUPACethane;(2S)-1-ethyl-2-propylcyclohexane
SMILESCC.CCC[C@H]1CCCCC1CC
InChIInChI=1S/C11H22.C2H6/c1-3-7-11-9-6-5-8-10(11)4-2;1-2/h10-11H,3-9H2,1-2H3;1-2H3/t10?,11-;/m0./s1
InChIKeyQDOMOCXXIZCSDB-GQNCZFCYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds3

About ethane;(2S)-1-ethyl-2-propylcyclohexane

ethane;(2S)-1-ethyl-2-propylcyclohexane (PubChem CID 143012565) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;(2S)-1-ethyl-2-propylcyclohexane.

Molecular Properties

Compound Nameethane;(2S)-1-ethyl-2-propylcyclohexane
PubChem CID143012565
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;(2S)-1-ethyl-2-propylcyclohexane
SMILESCC.CCC[C@H]1CCCCC1CC
InChIInChI=1S/C11H22.C2H6/c1-3-7-11-9-6-5-8-10(11)4-2;1-2/h10-11H,3-9H2,1-2H3;1-2H3/t10?,11-;/m0./s1
InChIKeyQDOMOCXXIZCSDB-GQNCZFCYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
CID 160611346
CID 160611346
1-butyl-2-ethylcyclopentane
CID 522474
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
(1R)-2-propylcyclohexan-1-ol
CID 144627240
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
carbonic acid;1,2-diethylcyclohexane
CID 70579518

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1-ethyl-2-propylcyclohexane?
The IUPAC name of ethane;(2S)-1-ethyl-2-propylcyclohexane (CID 143012565) is ethane;(2S)-1-ethyl-2-propylcyclohexane.
What is the SMILES notation for ethane;(2S)-1-ethyl-2-propylcyclohexane?
The canonical SMILES for ethane;(2S)-1-ethyl-2-propylcyclohexane is CC.CCC[C@H]1CCCCC1CC.
What is the InChIKey of ethane;(2S)-1-ethyl-2-propylcyclohexane?
The InChIKey is QDOMOCXXIZCSDB-GQNCZFCYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-3-7-11-9-6-5-8-10(11)4-2;1-2/h10-11H,3-9H2,1-2H3;1-2H3/t10?,11-;/m0./s1.
What are the key properties of ethane;(2S)-1-ethyl-2-propylcyclohexane?
ethane;(2S)-1-ethyl-2-propylcyclohexane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1-ethyl-2-propylcyclohexane is sourced from PubChem (CID 143012565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).