methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate

C18H32O4 — CID 21351641

IUPACmethyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
SMILESCCC1CC(CC)C(C(CC(=O)OC)OC2CCCCO2)C1
InChIInChI=1S/C18H32O4/c1-4-13-10-14(5-2)15(11-13)16(12-17(19)20-3)22-18-8-6-7-9-21-18/h13-16,18H,4-12H2,1-3H3
InChIKeyUDLUFQGSXLHZQZ-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.92
Rot. Bonds7

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

methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate (PubChem CID 21351641) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
PubChem CID21351641
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Namemethyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
SMILESCCC1CC(CC)C(C(CC(=O)OC)OC2CCCCO2)C1
InChIInChI=1S/C18H32O4/c1-4-13-10-14(5-2)15(11-13)16(12-17(19)20-3)22-18-8-6-7-9-21-18/h13-16,18H,4-12H2,1-3H3
InChIKeyUDLUFQGSXLHZQZ-UHFFFAOYSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
The IUPAC name of methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate (CID 21351641) is methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate.
What is the SMILES notation for methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
The canonical SMILES for methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate is CCC1CC(CC)C(C(CC(=O)OC)OC2CCCCO2)C1.
What is the InChIKey of methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
The InChIKey is UDLUFQGSXLHZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-4-13-10-14(5-2)15(11-13)16(12-17(19)20-3)22-18-8-6-7-9-21-18/h13-16,18H,4-12H2,1-3H3.
What are the key properties of methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate?
methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate has a molecular weight of 312.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate is sourced from PubChem (CID 21351641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).