cyclohexane;ethyl 4-hydroxybutanoate

C12H24O3 — CID 67158425

IUPACcyclohexane;ethyl 4-hydroxybutanoate
SMILESC1CCCCC1.CCOC(=O)CCCO
InChIInChI=1S/C6H12O3.C6H12/c1-2-9-6(8)4-3-5-7;1-2-4-6-5-3-1/h7H,2-5H2,1H3;1-6H2
InChIKeyCUYCBNMSQZFBJE-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds4

About cyclohexane;ethyl 4-hydroxybutanoate

cyclohexane;ethyl 4-hydroxybutanoate (PubChem CID 67158425) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is cyclohexane;ethyl 4-hydroxybutanoate.

Molecular Properties

Compound Namecyclohexane;ethyl 4-hydroxybutanoate
PubChem CID67158425
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namecyclohexane;ethyl 4-hydroxybutanoate
SMILESC1CCCCC1.CCOC(=O)CCCO
InChIInChI=1S/C6H12O3.C6H12/c1-2-9-6(8)4-3-5-7;1-2-4-6-5-3-1/h7H,2-5H2,1H3;1-6H2
InChIKeyCUYCBNMSQZFBJE-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
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CID 66723780
diethyl hexanedioate
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CID 167711547
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
butan-1-ol;ethyl butanoate;methane
CID 159268978
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
diethyl pentanedioate;2-ethoxyethanol
CID 174867931
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804

Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethyl 4-hydroxybutanoate?
The IUPAC name of cyclohexane;ethyl 4-hydroxybutanoate (CID 67158425) is cyclohexane;ethyl 4-hydroxybutanoate.
What is the SMILES notation for cyclohexane;ethyl 4-hydroxybutanoate?
The canonical SMILES for cyclohexane;ethyl 4-hydroxybutanoate is C1CCCCC1.CCOC(=O)CCCO.
What is the InChIKey of cyclohexane;ethyl 4-hydroxybutanoate?
The InChIKey is CUYCBNMSQZFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C6H12/c1-2-9-6(8)4-3-5-7;1-2-4-6-5-3-1/h7H,2-5H2,1H3;1-6H2.
What are the key properties of cyclohexane;ethyl 4-hydroxybutanoate?
cyclohexane;ethyl 4-hydroxybutanoate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethyl 4-hydroxybutanoate is sourced from PubChem (CID 67158425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).