(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate

C14H26O2 — CID 123394961

IUPAC(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
SMILESCCC1(OC(=O)C(C)(C)C(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-6-14(9-7-8-10-14)16-12(15)13(4,5)11(2)3/h11H,6-10H2,1-5H3
InChIKeyKUWUAQSEDNGYBW-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.93
Rot. Bonds4

About (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate

(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate (PubChem CID 123394961) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
PubChem CID123394961
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
SMILESCCC1(OC(=O)C(C)(C)C(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-6-14(9-7-8-10-14)16-12(15)13(4,5)11(2)3/h11H,6-10H2,1-5H3
InChIKeyKUWUAQSEDNGYBW-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate?
The IUPAC name of (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate (CID 123394961) is (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate is CCC1(OC(=O)C(C)(C)C(C)C)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate?
The InChIKey is KUWUAQSEDNGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-14(9-7-8-10-14)16-12(15)13(4,5)11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate?
(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate has a molecular weight of 226.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2,2,3-trimethylbutanoate is sourced from PubChem (CID 123394961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).