cyclohexyl 5-methylfuran-3-carboxylate

C12H16O3 — CID 23661320

IUPACcyclohexyl 5-methylfuran-3-carboxylate
SMILESCc1cc(C(=O)OC2CCCCC2)co1
InChIInChI=1S/C12H16O3/c1-9-7-10(8-14-9)12(13)15-11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3
InChIKeyYEWAMVHVKMFYGF-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About cyclohexyl 5-methylfuran-3-carboxylate

cyclohexyl 5-methylfuran-3-carboxylate (PubChem CID 23661320) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is cyclohexyl 5-methylfuran-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-methylfuran-3-carboxylate
PubChem CID23661320
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namecyclohexyl 5-methylfuran-3-carboxylate
SMILESCc1cc(C(=O)OC2CCCCC2)co1
InChIInChI=1S/C12H16O3/c1-9-7-10(8-14-9)12(13)15-11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3
InChIKeyYEWAMVHVKMFYGF-UHFFFAOYSA-N
XLogP3.08
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
CID 22679066
dicyclohexyl 5-ethylbenzene-1,3-dicarboxylate
CID 23514853
dicyclohexyl furan-3,4-dicarboxylate
CID 71348415
cyclooctyl 1-methylpyrazole-4-carboxylate
CID 78840160
cyclohexyl 2,6-dichloropyridine-4-carboxylate
CID 22157828
cyclohexyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310617
cycloheptyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310474
cyclopentyl 3-amino-4-methylbenzoate
CID 61278814
cyclobutyl 3-methylbenzoate
CID 530470
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
cyclopentyl 4-fluorobenzoate
CID 579482
cyclohexyl 3-amino-5-methoxybenzoate
CID 81092610

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-methylfuran-3-carboxylate?
The IUPAC name of cyclohexyl 5-methylfuran-3-carboxylate (CID 23661320) is cyclohexyl 5-methylfuran-3-carboxylate.
What is the SMILES notation for cyclohexyl 5-methylfuran-3-carboxylate?
The canonical SMILES for cyclohexyl 5-methylfuran-3-carboxylate is Cc1cc(C(=O)OC2CCCCC2)co1.
What is the InChIKey of cyclohexyl 5-methylfuran-3-carboxylate?
The InChIKey is YEWAMVHVKMFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-7-10(8-14-9)12(13)15-11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3.
What are the key properties of cyclohexyl 5-methylfuran-3-carboxylate?
cyclohexyl 5-methylfuran-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-methylfuran-3-carboxylate is sourced from PubChem (CID 23661320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).