2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate

C18H30O4 — CID 20686225

IUPAC2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C1(C2CCOC2=O)CCCC1
InChIInChI=1S/C18H30O4/c1-6-16(2,3)15(20)22-17(4,5)18(10-7-8-11-18)13-9-12-21-14(13)19/h13H,6-12H2,1-5H3
InChIKeyQHBDCDGUICGFFX-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.87
Rot. Bonds5

About 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate

2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate (PubChem CID 20686225) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate
PubChem CID20686225
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C1(C2CCOC2=O)CCCC1
InChIInChI=1S/C18H30O4/c1-6-16(2,3)15(20)22-17(4,5)18(10-7-8-11-18)13-9-12-21-14(13)19/h13H,6-12H2,1-5H3
InChIKeyQHBDCDGUICGFFX-UHFFFAOYSA-N
XLogP3.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate (CID 20686225) is 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C1(C2CCOC2=O)CCCC1.
What is the InChIKey of 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is QHBDCDGUICGFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-6-16(2,3)15(20)22-17(4,5)18(10-7-8-11-18)13-9-12-21-14(13)19/h13H,6-12H2,1-5H3.
What are the key properties of 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate?
2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 310.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxooxolan-3-yl)cyclopentyl]propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 20686225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).