cyclopropane;2-methoxyethyl acetate

C8H16O3 — CID 69413766

IUPACcyclopropane;2-methoxyethyl acetate
SMILESC1CC1.COCCOC(C)=O
InChIInChI=1S/C5H10O3.C3H6/c1-5(6)8-4-3-7-2;1-2-3-1/h3-4H2,1-2H3;1-3H2
InChIKeyNCFYZAQADKHNRR-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.37
Rot. Bonds3

About cyclopropane;2-methoxyethyl acetate

cyclopropane;2-methoxyethyl acetate (PubChem CID 69413766) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is cyclopropane;2-methoxyethyl acetate.

Molecular Properties

Compound Namecyclopropane;2-methoxyethyl acetate
PubChem CID69413766
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namecyclopropane;2-methoxyethyl acetate
SMILESC1CC1.COCCOC(C)=O
InChIInChI=1S/C5H10O3.C3H6/c1-5(6)8-4-3-7-2;1-2-3-1/h3-4H2,1-2H3;1-3H2
InChIKeyNCFYZAQADKHNRR-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.37
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

2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
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CID 160669604
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
1,2-dimethoxyethane;ethyl acetate
CID 87198031
bicyclo[2.2.1]hept-2-ene;2-methoxyethyl acetate
CID 66605117
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855
CID 158105337
CID 158105337
pentadecakis(cyclohexane);ethyl acetate
CID 173010680
2-acetyloxyethyl acetate;silyl acetate
CID 173024816

Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-methoxyethyl acetate?
The IUPAC name of cyclopropane;2-methoxyethyl acetate (CID 69413766) is cyclopropane;2-methoxyethyl acetate.
What is the SMILES notation for cyclopropane;2-methoxyethyl acetate?
The canonical SMILES for cyclopropane;2-methoxyethyl acetate is C1CC1.COCCOC(C)=O.
What is the InChIKey of cyclopropane;2-methoxyethyl acetate?
The InChIKey is NCFYZAQADKHNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6/c1-5(6)8-4-3-7-2;1-2-3-1/h3-4H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;2-methoxyethyl acetate?
cyclopropane;2-methoxyethyl acetate has a molecular weight of 160.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-methoxyethyl acetate is sourced from PubChem (CID 69413766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).