1-[1-(2-propoxyethyl)cyclopropyl]ethanone

C10H18O2 — CID 106797086

IUPAC1-[1-(2-propoxyethyl)cyclopropyl]ethanone
SMILESCCCOCCC1(C(C)=O)CC1
InChIInChI=1S/C10H18O2/c1-3-7-12-8-6-10(4-5-10)9(2)11/h3-8H2,1-2H3
InChIKeyWJMGTFCOYVRBCW-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds6

About 1-[1-(2-propoxyethyl)cyclopropyl]ethanone

1-[1-(2-propoxyethyl)cyclopropyl]ethanone (PubChem CID 106797086) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-[1-(2-propoxyethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2-propoxyethyl)cyclopropyl]ethanone
PubChem CID106797086
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-[1-(2-propoxyethyl)cyclopropyl]ethanone
SMILESCCCOCCC1(C(C)=O)CC1
InChIInChI=1S/C10H18O2/c1-3-7-12-8-6-10(4-5-10)9(2)11/h3-8H2,1-2H3
InChIKeyWJMGTFCOYVRBCW-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-octylcyclopropyl)ethanone
CID 22042371
3-(2-propoxyethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 106454928
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454936
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
(2S)-2-methyl-2-(2-propoxyethyl)oxirane
CID 10773103
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-(1-propoxycyclobutyl)ethanone
CID 83224918
ethyl acetate;methanol;1-propoxypropane
CID 175234331
1-(4,4-dimethylcyclohexyl)-2-propoxyethanone
CID 79567432
2-propoxyethyl 4-ethylpiperidine-4-carboxylate
CID 63686530
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propoxyethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2-propoxyethyl)cyclopropyl]ethanone (CID 106797086) is 1-[1-(2-propoxyethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2-propoxyethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2-propoxyethyl)cyclopropyl]ethanone is CCCOCCC1(C(C)=O)CC1.
What is the InChIKey of 1-[1-(2-propoxyethyl)cyclopropyl]ethanone?
The InChIKey is WJMGTFCOYVRBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-12-8-6-10(4-5-10)9(2)11/h3-8H2,1-2H3.
What are the key properties of 1-[1-(2-propoxyethyl)cyclopropyl]ethanone?
1-[1-(2-propoxyethyl)cyclopropyl]ethanone has a molecular weight of 170.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propoxyethyl)cyclopropyl]ethanone is sourced from PubChem (CID 106797086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).