cyclohexyl 2-ethoxypentanoate

C13H24O3 — CID 70132370

IUPACcyclohexyl 2-ethoxypentanoate
SMILESCCCC(OCC)C(=O)OC1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-8-12(15-4-2)13(14)16-11-9-6-5-7-10-11/h11-12H,3-10H2,1-2H3
InChIKeyQPLAAONGKIOIGS-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.07
Rot. Bonds6

About cyclohexyl 2-ethoxypentanoate

cyclohexyl 2-ethoxypentanoate (PubChem CID 70132370) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is cyclohexyl 2-ethoxypentanoate.

Molecular Properties

Compound Namecyclohexyl 2-ethoxypentanoate
PubChem CID70132370
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namecyclohexyl 2-ethoxypentanoate
SMILESCCCC(OCC)C(=O)OC1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-8-12(15-4-2)13(14)16-11-9-6-5-7-10-11/h11-12H,3-10H2,1-2H3
InChIKeyQPLAAONGKIOIGS-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentyl 2-ethoxypropanoate
CID 173270406
cycloheptyl 3-amino-2-methylpropanoate
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cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
1-cyclopropyl-3-ethoxyhexan-2-one
CID 116707889
(1-cyclohexyloxy-1-oxododecan-2-yl)-trimethylazanium bromide
CID 51059954
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-ethoxypentanoate?
The IUPAC name of cyclohexyl 2-ethoxypentanoate (CID 70132370) is cyclohexyl 2-ethoxypentanoate.
What is the SMILES notation for cyclohexyl 2-ethoxypentanoate?
The canonical SMILES for cyclohexyl 2-ethoxypentanoate is CCCC(OCC)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-ethoxypentanoate?
The InChIKey is QPLAAONGKIOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-8-12(15-4-2)13(14)16-11-9-6-5-7-10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of cyclohexyl 2-ethoxypentanoate?
cyclohexyl 2-ethoxypentanoate has a molecular weight of 228.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-ethoxypentanoate is sourced from PubChem (CID 70132370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).