propan-2-yl 2-cyclopentyl-3-methoxypropanoate

C12H22O3 — CID 139783286

IUPACpropan-2-yl 2-cyclopentyl-3-methoxypropanoate
SMILESCOCC(C(=O)OC(C)C)C1CCCC1
InChIInChI=1S/C12H22O3/c1-9(2)15-12(13)11(8-14-3)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3
InChIKeyHTQKOJNZNJNEHR-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.39
Rot. Bonds5

About propan-2-yl 2-cyclopentyl-3-methoxypropanoate

propan-2-yl 2-cyclopentyl-3-methoxypropanoate (PubChem CID 139783286) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is propan-2-yl 2-cyclopentyl-3-methoxypropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-cyclopentyl-3-methoxypropanoate
PubChem CID139783286
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Namepropan-2-yl 2-cyclopentyl-3-methoxypropanoate
SMILESCOCC(C(=O)OC(C)C)C1CCCC1
InChIInChI=1S/C12H22O3/c1-9(2)15-12(13)11(8-14-3)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3
InChIKeyHTQKOJNZNJNEHR-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-cyclopentyl-3-methoxypropanoate?
The IUPAC name of propan-2-yl 2-cyclopentyl-3-methoxypropanoate (CID 139783286) is propan-2-yl 2-cyclopentyl-3-methoxypropanoate.
What is the SMILES notation for propan-2-yl 2-cyclopentyl-3-methoxypropanoate?
The canonical SMILES for propan-2-yl 2-cyclopentyl-3-methoxypropanoate is COCC(C(=O)OC(C)C)C1CCCC1.
What is the InChIKey of propan-2-yl 2-cyclopentyl-3-methoxypropanoate?
The InChIKey is HTQKOJNZNJNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)15-12(13)11(8-14-3)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-cyclopentyl-3-methoxypropanoate?
propan-2-yl 2-cyclopentyl-3-methoxypropanoate has a molecular weight of 214.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-cyclopentyl-3-methoxypropanoate is sourced from PubChem (CID 139783286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).