acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate

C10H16O4 — CID 67925632

IUPACacetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate
SMILESC=CC1(C(=O)OCC)CC1.CC(=O)O
InChIInChI=1S/C8H12O2.C2H4O2/c1-3-8(5-6-8)7(9)10-4-2;1-2(3)4/h3H,1,4-6H2,2H3;1H3,(H,3,4)
InChIKeyHHQKXTVUSTYLEJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.61
Rot. Bonds3

About acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate

acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate (PubChem CID 67925632) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameacetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate
PubChem CID67925632
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameacetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate
SMILESC=CC1(C(=O)OCC)CC1.CC(=O)O
InChIInChI=1S/C8H12O2.C2H4O2/c1-3-8(5-6-8)7(9)10-4-2;1-2(3)4/h3H,1,4-6H2,2H3;1H3,(H,3,4)
InChIKeyHHQKXTVUSTYLEJ-UHFFFAOYSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-ethenylcyclopropane-1-carboxylate
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carboxy 1-ethenylcyclopropane-1-carboxylate
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ethyl 1-prop-2-enylcyclopropane-1-carboxylate
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diethyl 2-ethenyl-2-methylcyclopropane-1,1-dicarboxylate
CID 14113984
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
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CID 174936944
diethyl (3S)-3-ethenyl-4-formylcyclopentane-1,1-dicarboxylate
CID 154715867
ethyl acetate;prop-2-enoic acid
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ethyl 2-(trifluoromethyl)oxetane-2-carboxylate
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1-ethenyl-N-ethylcyclopropane-1-carboxamide
CID 176664996
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate?
The IUPAC name of acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate (CID 67925632) is acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate is C=CC1(C(=O)OCC)CC1.CC(=O)O.
What is the InChIKey of acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate?
The InChIKey is HHQKXTVUSTYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C2H4O2/c1-3-8(5-6-8)7(9)10-4-2;1-2(3)4/h3H,1,4-6H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate?
acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 1-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 67925632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).