methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate

C15H26O4 — CID 20764652

IUPACmethyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(=O)OC(C)(C)C)CCC(C)C1
InChIInChI=1S/C15H26O4/c1-11-6-7-15(8-11,9-12(16)18-5)10-13(17)19-14(2,3)4/h11H,6-10H2,1-5H3
InChIKeySXGGOBYKHQNYRG-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate

methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate (PubChem CID 20764652) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate
PubChem CID20764652
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(=O)OC(C)(C)C)CCC(C)C1
InChIInChI=1S/C15H26O4/c1-11-6-7-15(8-11,9-12(16)18-5)10-13(17)19-14(2,3)4/h11H,6-10H2,1-5H3
InChIKeySXGGOBYKHQNYRG-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate (CID 20764652) is methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate is COC(=O)CC1(CC(=O)OC(C)(C)C)CCC(C)C1.
What is the InChIKey of methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate?
The InChIKey is SXGGOBYKHQNYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-11-6-7-15(8-11,9-12(16)18-5)10-13(17)19-14(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate?
methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate has a molecular weight of 270.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate is sourced from PubChem (CID 20764652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).