1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone

C11H20O3 — CID 106797314

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
SMILESCOCCCOCCC1(C(C)=O)CC1
InChIInChI=1S/C11H20O3/c1-10(12)11(4-5-11)6-9-14-8-3-7-13-2/h3-9H2,1-2H3
InChIKeyVJAOZAKPRZDLJO-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.80
Rot. Bonds8

About 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone

1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone (PubChem CID 106797314) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
PubChem CID106797314
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
SMILESCOCCCOCCC1(C(C)=O)CC1
InChIInChI=1S/C11H20O3/c1-10(12)11(4-5-11)6-9-14-8-3-7-13-2/h3-9H2,1-2H3
InChIKeyVJAOZAKPRZDLJO-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-propoxyethyl)cyclopropyl]ethanone
CID 106797086
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 103184874
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
CID 103184870
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
CID 103178488
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone (CID 106797314) is 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone is COCCCOCCC1(C(C)=O)CC1.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone?
The InChIKey is VJAOZAKPRZDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(12)11(4-5-11)6-9-14-8-3-7-13-2/h3-9H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone?
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 1.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone is sourced from PubChem (CID 106797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).