(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate

C16H30O2 — CID 70649113

IUPAC(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate
SMILESCCCC(C)(C(=O)OC1(CC)CCCC1)C(C)C
InChIInChI=1S/C16H30O2/c1-6-10-15(5,13(3)4)14(17)18-16(7-2)11-8-9-12-16/h13H,6-12H2,1-5H3
InChIKeyZFAOQTDFEUBUDD-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.71
Rot. Bonds6

About (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate

(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate (PubChem CID 70649113) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate
PubChem CID70649113
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate
SMILESCCCC(C)(C(=O)OC1(CC)CCCC1)C(C)C
InChIInChI=1S/C16H30O2/c1-6-10-15(5,13(3)4)14(17)18-16(7-2)11-8-9-12-16/h13H,6-12H2,1-5H3
InChIKeyZFAOQTDFEUBUDD-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate?
The IUPAC name of (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate (CID 70649113) is (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate is CCCC(C)(C(=O)OC1(CC)CCCC1)C(C)C.
What is the InChIKey of (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate?
The InChIKey is ZFAOQTDFEUBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-10-15(5,13(3)4)14(17)18-16(7-2)11-8-9-12-16/h13H,6-12H2,1-5H3.
What are the key properties of (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate?
(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate has a molecular weight of 254.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 70649113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).