1-cyclopentyl-2,2-diethoxyethanone

C11H20O3 — CID 12573299

IUPAC1-cyclopentyl-2,2-diethoxyethanone
SMILESCCOC(OCC)C(=O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyIHBQXFOYQJOBQA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds6

About 1-cyclopentyl-2,2-diethoxyethanone

1-cyclopentyl-2,2-diethoxyethanone (PubChem CID 12573299) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclopentyl-2,2-diethoxyethanone.

Molecular Properties

Compound Name1-cyclopentyl-2,2-diethoxyethanone
PubChem CID12573299
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-cyclopentyl-2,2-diethoxyethanone
SMILESCCOC(OCC)C(=O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyIHBQXFOYQJOBQA-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
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-cyclopentyl-2,2-diethoxyethanone?
The IUPAC name of 1-cyclopentyl-2,2-diethoxyethanone (CID 12573299) is 1-cyclopentyl-2,2-diethoxyethanone.
What is the SMILES notation for 1-cyclopentyl-2,2-diethoxyethanone?
The canonical SMILES for 1-cyclopentyl-2,2-diethoxyethanone is CCOC(OCC)C(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2,2-diethoxyethanone?
The InChIKey is IHBQXFOYQJOBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentyl-2,2-diethoxyethanone?
1-cyclopentyl-2,2-diethoxyethanone has a molecular weight of 200.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,2-diethoxyethanone is sourced from PubChem (CID 12573299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).