(3-acetyloxycyclohexyl) propanoate;ethane

C13H24O4 — CID 142313832

IUPAC(3-acetyloxycyclohexyl) propanoate;ethane
SMILESCC.CCC(=O)OC1CCCC(OC(C)=O)C1
InChIInChI=1S/C11H18O4.C2H6/c1-3-11(13)15-10-6-4-5-9(7-10)14-8(2)12;1-2/h9-10H,3-7H2,1-2H3;1-2H3
InChIKeyDNSLUPKKOCUSGL-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.84
Rot. Bonds3

About (3-acetyloxycyclohexyl) propanoate;ethane

(3-acetyloxycyclohexyl) propanoate;ethane (PubChem CID 142313832) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3-acetyloxycyclohexyl) propanoate;ethane.

Molecular Properties

Compound Name(3-acetyloxycyclohexyl) propanoate;ethane
PubChem CID142313832
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(3-acetyloxycyclohexyl) propanoate;ethane
SMILESCC.CCC(=O)OC1CCCC(OC(C)=O)C1
InChIInChI=1S/C11H18O4.C2H6/c1-3-11(13)15-10-6-4-5-9(7-10)14-8(2)12;1-2/h9-10H,3-7H2,1-2H3;1-2H3
InChIKeyDNSLUPKKOCUSGL-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetamide;cyclopentyl propanoate
CID 143322096
cyclohexyl propanoate;dihydrochloride
CID 172803130
[(2S,3R,5R,6R)-2,3,4,5,6-pentaacetyloxycyclohexyl] propanoate
CID 124851501
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
(6-acetyloxycyclodecyl) acetate
CID 539578
[3-(4-propylcyclohexyl)cyclohexyl] propanoate
CID 23041175
cyclohexyl acetate;iodoethane
CID 174262238
cycloheptadecyl acetate
CID 57215828
[(1R,3R)-3-tert-butylcyclohexyl] acetate
CID 22861757
ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane
CID 156718776
(8-cyclobutyl-4-tricyclo[5.2.1.02,6]decanyl) propanoate
CID 138741347
[(1R,3R)-3-(4-butylcyclohexyl)cyclohexyl] propanoate
CID 70371568

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxycyclohexyl) propanoate;ethane?
The IUPAC name of (3-acetyloxycyclohexyl) propanoate;ethane (CID 142313832) is (3-acetyloxycyclohexyl) propanoate;ethane.
What is the SMILES notation for (3-acetyloxycyclohexyl) propanoate;ethane?
The canonical SMILES for (3-acetyloxycyclohexyl) propanoate;ethane is CC.CCC(=O)OC1CCCC(OC(C)=O)C1.
What is the InChIKey of (3-acetyloxycyclohexyl) propanoate;ethane?
The InChIKey is DNSLUPKKOCUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4.C2H6/c1-3-11(13)15-10-6-4-5-9(7-10)14-8(2)12;1-2/h9-10H,3-7H2,1-2H3;1-2H3.
What are the key properties of (3-acetyloxycyclohexyl) propanoate;ethane?
(3-acetyloxycyclohexyl) propanoate;ethane has a molecular weight of 244.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxycyclohexyl) propanoate;ethane is sourced from PubChem (CID 142313832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).