2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate

C12H22O4 — CID 70870522

IUPAC2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate
SMILESCCC(C)(C)OC(=O)COC1CCC(O)C1
InChIInChI=1S/C12H22O4/c1-4-12(2,3)16-11(14)8-15-10-6-5-9(13)7-10/h9-10,13H,4-8H2,1-3H3
InChIKeyLNFZLJHTWQMBJD-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.65
Rot. Bonds5

About 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate

2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate (PubChem CID 70870522) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate
PubChem CID70870522
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate
SMILESCCC(C)(C)OC(=O)COC1CCC(O)C1
InChIInChI=1S/C12H22O4/c1-4-12(2,3)16-11(14)8-15-10-6-5-9(13)7-10/h9-10,13H,4-8H2,1-3H3
InChIKeyLNFZLJHTWQMBJD-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate?
The IUPAC name of 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate (CID 70870522) is 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate?
The canonical SMILES for 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate is CCC(C)(C)OC(=O)COC1CCC(O)C1.
What is the InChIKey of 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate?
The InChIKey is LNFZLJHTWQMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-12(2,3)16-11(14)8-15-10-6-5-9(13)7-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate?
2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate has a molecular weight of 230.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate is sourced from PubChem (CID 70870522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).