(3-methoxycyclohexyl) 4-ethoxybutanoate

C13H24O4 — CID 78885793

IUPAC(3-methoxycyclohexyl) 4-ethoxybutanoate
SMILESCCOCCCC(=O)OC1CCCC(OC)C1
InChIInChI=1S/C13H24O4/c1-3-16-9-5-8-13(14)17-12-7-4-6-11(10-12)15-2/h11-12H,3-10H2,1-2H3
InChIKeyMAEZBZNSMOGPAO-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.30
Rot. Bonds7

About (3-methoxycyclohexyl) 4-ethoxybutanoate

(3-methoxycyclohexyl) 4-ethoxybutanoate (PubChem CID 78885793) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 4-ethoxybutanoate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 4-ethoxybutanoate
PubChem CID78885793
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(3-methoxycyclohexyl) 4-ethoxybutanoate
SMILESCCOCCCC(=O)OC1CCCC(OC)C1
InChIInChI=1S/C13H24O4/c1-3-16-9-5-8-13(14)17-12-7-4-6-11(10-12)15-2/h11-12H,3-10H2,1-2H3
InChIKeyMAEZBZNSMOGPAO-UHFFFAOYSA-N
XLogP2.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
cycloheptyl 6-ethoxyhexanoate
CID 134561724
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
(3-methoxycyclohexyl) 4-anilinobutanoate
CID 60782216
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
cyclobutyl pentadecanoate
CID 46229794
cyclobutyl 4-bromobutanoate
CID 591081
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
cyclohexyl 6-propoxyhexanoate
CID 134561647
(3-ethylcyclohexyl) 5-aminohexanoate
CID 82847639
(3-methoxycyclohexyl) 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437046
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 4-ethoxybutanoate?
The IUPAC name of (3-methoxycyclohexyl) 4-ethoxybutanoate (CID 78885793) is (3-methoxycyclohexyl) 4-ethoxybutanoate.
What is the SMILES notation for (3-methoxycyclohexyl) 4-ethoxybutanoate?
The canonical SMILES for (3-methoxycyclohexyl) 4-ethoxybutanoate is CCOCCCC(=O)OC1CCCC(OC)C1.
What is the InChIKey of (3-methoxycyclohexyl) 4-ethoxybutanoate?
The InChIKey is MAEZBZNSMOGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-16-9-5-8-13(14)17-12-7-4-6-11(10-12)15-2/h11-12H,3-10H2,1-2H3.
What are the key properties of (3-methoxycyclohexyl) 4-ethoxybutanoate?
(3-methoxycyclohexyl) 4-ethoxybutanoate has a molecular weight of 244.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 4-ethoxybutanoate is sourced from PubChem (CID 78885793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).