cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate

C13H24O2 — CID 54441398

IUPACcis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](CC)CCCC1(C)C
InChIInChI=1S/C13H24O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyWOIYBMVBEIFQKM-GHMZBOCLSA-N
MW212.33 g/mol
LogP3.40
Rot. Bonds3

About cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate

cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate (PubChem CID 54441398) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
PubChem CID54441398
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](CC)CCCC1(C)C
InChIInChI=1S/C13H24O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyWOIYBMVBEIFQKM-GHMZBOCLSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
CID 70464202
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
CID 115539291
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
CID 107186989
ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
CID 123793708
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
CID 176966698
ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 69116253
cis-methyl (1S,6R)-6-hydroxy-2,2-dimethylcyclohexane-1-carboxylate
CID 129362753

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate (CID 54441398) is cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate is CCOC(=O)[C@H]1[C@H](CC)CCCC1(C)C.
What is the InChIKey of cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate?
The InChIKey is WOIYBMVBEIFQKM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate?
cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate has a molecular weight of 212.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 54441398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).