ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate

C17H30O5 — CID 10335798

IUPACethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate
SMILESCCOC(=O)CC(CCC1(OC(C)=O)CCCCC1)OCC
InChIInChI=1S/C17H30O5/c1-4-20-15(13-16(19)21-5-2)9-12-17(22-14(3)18)10-7-6-8-11-17/h15H,4-13H2,1-3H3
InChIKeyWYCBVDKKFMKGLK-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.39
Rot. Bonds9

About ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate

ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate (PubChem CID 10335798) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate.

Molecular Properties

Compound Nameethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate
PubChem CID10335798
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Nameethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate
SMILESCCOC(=O)CC(CCC1(OC(C)=O)CCCCC1)OCC
InChIInChI=1S/C17H30O5/c1-4-20-15(13-16(19)21-5-2)9-12-17(22-14(3)18)10-7-6-8-11-17/h15H,4-13H2,1-3H3
InChIKeyWYCBVDKKFMKGLK-UHFFFAOYSA-N
XLogP3.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-bromo-3-ethoxypentanoate
CID 54485200
[1-(isocyanatomethyl)cyclohexyl] acetate
CID 87786975
2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium
CID 71370243
[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate
CID 58225766
(cyclohexane);ethyl acetate
CID 173021642
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
(1-hydroxycyclooctyl) acetate
CID 91039609
(1-methylcyclohexyl) acetate;propane
CID 143035856
ethyl (3R)-3-ethoxy-3-methoxypropanoate
CID 129409053
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate?
The IUPAC name of ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate (CID 10335798) is ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate.
What is the SMILES notation for ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate?
The canonical SMILES for ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate is CCOC(=O)CC(CCC1(OC(C)=O)CCCCC1)OCC.
What is the InChIKey of ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate?
The InChIKey is WYCBVDKKFMKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c1-4-20-15(13-16(19)21-5-2)9-12-17(22-14(3)18)10-7-6-8-11-17/h15H,4-13H2,1-3H3.
What are the key properties of ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate?
ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate has a molecular weight of 314.42 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate is sourced from PubChem (CID 10335798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).