ethyl acetate;ethyl 2-cyclohexylacetate

C14H26O4 — CID 66912131

IUPACethyl acetate;ethyl 2-cyclohexylacetate
SMILESCCOC(=O)CC1CCCCC1.CCOC(C)=O
InChIInChI=1S/C10H18O2.C4H8O2/c1-2-12-10(11)8-9-6-4-3-5-7-9;1-3-6-4(2)5/h9H,2-8H2,1H3;3H2,1-2H3
InChIKeyGGWAUKDZRCYPAJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.09
Rot. Bonds4

About ethyl acetate;ethyl 2-cyclohexylacetate

ethyl acetate;ethyl 2-cyclohexylacetate (PubChem CID 66912131) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl acetate;ethyl 2-cyclohexylacetate.

Molecular Properties

Compound Nameethyl acetate;ethyl 2-cyclohexylacetate
PubChem CID66912131
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nameethyl acetate;ethyl 2-cyclohexylacetate
SMILESCCOC(=O)CC1CCCCC1.CCOC(C)=O
InChIInChI=1S/C10H18O2.C4H8O2/c1-2-12-10(11)8-9-6-4-3-5-7-9;1-3-6-4(2)5/h9H,2-8H2,1H3;3H2,1-2H3
InChIKeyGGWAUKDZRCYPAJ-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-(azocan-5-yl)acetate
CID 123423074
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
(cyclohexane);ethyl acetate
CID 173021642
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl acetate;hexylcyclohexane
CID 23285784
[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
CID 153456033
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl 2-cyclohexylacetate?
The IUPAC name of ethyl acetate;ethyl 2-cyclohexylacetate (CID 66912131) is ethyl acetate;ethyl 2-cyclohexylacetate.
What is the SMILES notation for ethyl acetate;ethyl 2-cyclohexylacetate?
The canonical SMILES for ethyl acetate;ethyl 2-cyclohexylacetate is CCOC(=O)CC1CCCCC1.CCOC(C)=O.
What is the InChIKey of ethyl acetate;ethyl 2-cyclohexylacetate?
The InChIKey is GGWAUKDZRCYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C4H8O2/c1-2-12-10(11)8-9-6-4-3-5-7-9;1-3-6-4(2)5/h9H,2-8H2,1H3;3H2,1-2H3.
What are the key properties of ethyl acetate;ethyl 2-cyclohexylacetate?
ethyl acetate;ethyl 2-cyclohexylacetate has a molecular weight of 258.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;ethyl 2-cyclohexylacetate is sourced from PubChem (CID 66912131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).