2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate

C16H26O4 — CID 142105886

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate
SMILESC=CCC(COC(=O)C1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26O4/c1-5-8-13(15(18)20-16(2,3)4)11-19-14(17)12-9-6-7-10-12/h5,12-13H,1,6-11H2,2-4H3
InChIKeyNLIACHRUQFKOBA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.25
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate

2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate (PubChem CID 142105886) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate
PubChem CID142105886
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate
SMILESC=CCC(COC(=O)C1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26O4/c1-5-8-13(15(18)20-16(2,3)4)11-19-14(17)12-9-6-7-10-12/h5,12-13H,1,6-11H2,2-4H3
InChIKeyNLIACHRUQFKOBA-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate (CID 142105886) is 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate is C=CCC(COC(=O)C1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate?
The InChIKey is NLIACHRUQFKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-8-13(15(18)20-16(2,3)4)11-19-14(17)12-9-6-7-10-12/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate?
2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate has a molecular weight of 282.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate is sourced from PubChem (CID 142105886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).