1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate

C15H28O3 — CID 21351440

IUPAC1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1C(CC)CC(CC)C1C
InChIInChI=1S/C15H28O3/c1-6-12-9-13(7-2)14(10(12)4)15(16)18-11(5)17-8-3/h10-14H,6-9H2,1-5H3
InChIKeyHEYRVCCZDXXOSN-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.62
Rot. Bonds6

About 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate

1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate (PubChem CID 21351440) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate
PubChem CID21351440
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1C(CC)CC(CC)C1C
InChIInChI=1S/C15H28O3/c1-6-12-9-13(7-2)14(10(12)4)15(16)18-11(5)17-8-3/h10-14H,6-9H2,1-5H3
InChIKeyHEYRVCCZDXXOSN-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate?
The IUPAC name of 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate (CID 21351440) is 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate?
The canonical SMILES for 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate is CCOC(C)OC(=O)C1C(CC)CC(CC)C1C.
What is the InChIKey of 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate?
The InChIKey is HEYRVCCZDXXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-6-12-9-13(7-2)14(10(12)4)15(16)18-11(5)17-8-3/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate?
1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 21351440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).