1-(cyclopenten-1-yl)-2,2-diethoxyethanone

C11H18O3 — CID 55269182

IUPAC1-(cyclopenten-1-yl)-2,2-diethoxyethanone
SMILESCCOC(OCC)C(=O)C1=CCCC1
InChIInChI=1S/C11H18O3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-9/h7,11H,3-6,8H2,1-2H3
InChIKeyNNBMMWOKXRWIQB-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds6

About 1-(cyclopenten-1-yl)-2,2-diethoxyethanone

1-(cyclopenten-1-yl)-2,2-diethoxyethanone (PubChem CID 55269182) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2,2-diethoxyethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2,2-diethoxyethanone
PubChem CID55269182
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(cyclopenten-1-yl)-2,2-diethoxyethanone
SMILESCCOC(OCC)C(=O)C1=CCCC1
InChIInChI=1S/C11H18O3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-9/h7,11H,3-6,8H2,1-2H3
InChIKeyNNBMMWOKXRWIQB-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
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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Related Compounds

1-(cyclohexen-1-yl)-2-ethoxypentan-1-one
CID 106652219
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
CID 62078829
ethyl cycloundecene-1-carboxylate
CID 154164177
O-ethyl cyclopentene-1-carbothioate
CID 141424554
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
ethyl (Z)-2-(cyclopentene-1-carbonyl)but-2-enoate
CID 12736091
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2,2-diethoxyethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2,2-diethoxyethanone (CID 55269182) is 1-(cyclopenten-1-yl)-2,2-diethoxyethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2,2-diethoxyethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2,2-diethoxyethanone is CCOC(OCC)C(=O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2,2-diethoxyethanone?
The InChIKey is NNBMMWOKXRWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-9/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-2,2-diethoxyethanone?
1-(cyclopenten-1-yl)-2,2-diethoxyethanone has a molecular weight of 198.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2,2-diethoxyethanone is sourced from PubChem (CID 55269182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).