1-ethoxypropan-2-yl cyclohexanecarboxylate

C12H22O3 — CID 126603945

IUPAC1-ethoxypropan-2-yl cyclohexanecarboxylate
SMILESCCOCC(C)OC(=O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-3-14-9-10(2)15-12(13)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyZYSFNKNVNVAVIF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds5

About 1-ethoxypropan-2-yl cyclohexanecarboxylate

1-ethoxypropan-2-yl cyclohexanecarboxylate (PubChem CID 126603945) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl cyclohexanecarboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl cyclohexanecarboxylate
PubChem CID126603945
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-ethoxypropan-2-yl cyclohexanecarboxylate
SMILESCCOCC(C)OC(=O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-3-14-9-10(2)15-12(13)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyZYSFNKNVNVAVIF-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl cyclohexanecarboxylate?
The IUPAC name of 1-ethoxypropan-2-yl cyclohexanecarboxylate (CID 126603945) is 1-ethoxypropan-2-yl cyclohexanecarboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl cyclohexanecarboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl cyclohexanecarboxylate is CCOCC(C)OC(=O)C1CCCCC1.
What is the InChIKey of 1-ethoxypropan-2-yl cyclohexanecarboxylate?
The InChIKey is ZYSFNKNVNVAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-14-9-10(2)15-12(13)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl cyclohexanecarboxylate?
1-ethoxypropan-2-yl cyclohexanecarboxylate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl cyclohexanecarboxylate is sourced from PubChem (CID 126603945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).