ethyl 2-cyclohexyl-4-hydroxypentanoate

C13H24O3 — CID 10466333

IUPACethyl 2-cyclohexyl-4-hydroxypentanoate
SMILESCCOC(=O)C(CC(C)O)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-16-13(15)12(9-10(2)14)11-7-5-4-6-8-11/h10-12,14H,3-9H2,1-2H3
InChIKeyVIBNQYSCNBKFHA-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-cyclohexyl-4-hydroxypentanoate

ethyl 2-cyclohexyl-4-hydroxypentanoate (PubChem CID 10466333) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-4-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-4-hydroxypentanoate
PubChem CID10466333
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-cyclohexyl-4-hydroxypentanoate
SMILESCCOC(=O)C(CC(C)O)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-16-13(15)12(9-10(2)14)11-7-5-4-6-8-11/h10-12,14H,3-9H2,1-2H3
InChIKeyVIBNQYSCNBKFHA-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
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ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-4-hydroxypentanoate?
The IUPAC name of ethyl 2-cyclohexyl-4-hydroxypentanoate (CID 10466333) is ethyl 2-cyclohexyl-4-hydroxypentanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-4-hydroxypentanoate?
The canonical SMILES for ethyl 2-cyclohexyl-4-hydroxypentanoate is CCOC(=O)C(CC(C)O)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-4-hydroxypentanoate?
The InChIKey is VIBNQYSCNBKFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-16-13(15)12(9-10(2)14)11-7-5-4-6-8-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyl-4-hydroxypentanoate?
ethyl 2-cyclohexyl-4-hydroxypentanoate has a molecular weight of 228.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-4-hydroxypentanoate is sourced from PubChem (CID 10466333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).