(1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate

C24H42O4 — CID 21351452

IUPAC(1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
SMILESCCC1CC(CC)C(C(CC(=O)OC2(CC)CCCC2)OC2CCCCO2)C1
InChIInChI=1S/C24H42O4/c1-4-18-15-19(5-2)20(16-18)21(27-23-11-7-10-14-26-23)17-22(25)28-24(6-3)12-8-9-13-24/h18-21,23H,4-17H2,1-3H3
InChIKeyMJDTZQGVCSVRLO-UHFFFAOYSA-N
MW394.60 g/mol
LogP6.02
Rot. Bonds9

About (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate

(1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate (PubChem CID 21351452) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
PubChem CID21351452
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Name(1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
SMILESCCC1CC(CC)C(C(CC(=O)OC2(CC)CCCC2)OC2CCCCO2)C1
InChIInChI=1S/C24H42O4/c1-4-18-15-19(5-2)20(16-18)21(27-23-11-7-10-14-26-23)17-22(25)28-24(6-3)12-8-9-13-24/h18-21,23H,4-17H2,1-3H3
InChIKeyMJDTZQGVCSVRLO-UHFFFAOYSA-N
XLogP6.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
The IUPAC name of (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate (CID 21351452) is (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
The canonical SMILES for (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate is CCC1CC(CC)C(C(CC(=O)OC2(CC)CCCC2)OC2CCCCO2)C1.
What is the InChIKey of (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
The InChIKey is MJDTZQGVCSVRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4/c1-4-18-15-19(5-2)20(16-18)21(27-23-11-7-10-14-26-23)17-22(25)28-24(6-3)12-8-9-13-24/h18-21,23H,4-17H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
(1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate has a molecular weight of 394.60 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate is sourced from PubChem (CID 21351452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).