CID 157409555

C4H8CaO2 — CID 157409555

IUPAC—
SMILESCCOC(C)=O.[Ca]
InChIInChI=1S/C4H8O2.Ca/c1-3-6-4(2)5;/h3H2,1-2H3;
InChIKeyBOCPSFAXGVTJNO-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.19
Rot. Bonds1

About CID 157409555

CID 157409555 (PubChem CID 157409555) has the molecular formula C4H8CaO2 and a molecular weight of 128.18 g/mol.

Molecular Properties

Compound NameCID 157409555
PubChem CID157409555
Molecular FormulaC4H8CaO2
Molecular Weight128.18 g/mol
Exact Mass128.02
IUPAC Name—
SMILESCCOC(C)=O.[Ca]
InChIInChI=1S/C4H8O2.Ca/c1-3-6-4(2)5;/h3H2,1-2H3;
InChIKeyBOCPSFAXGVTJNO-UHFFFAOYSA-N
XLogP0.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl acetate;dihydrochloride
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ethyl acetate;methanol
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ethyl acetate;methanol
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ethyl acetate;octacontahydrate
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ethyl acetate;pentacontahydrate
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ethyl acetate;λ2-plumbane
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ethyl acetate;hydroiodide
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ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
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ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761

Frequently Asked Questions

What is the IUPAC name of CID 157409555?
The IUPAC name of CID 157409555 (CID 157409555) is not available.
What is the SMILES notation for CID 157409555?
The canonical SMILES for CID 157409555 is CCOC(C)=O.[Ca].
What is the InChIKey of CID 157409555?
The InChIKey is BOCPSFAXGVTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Ca/c1-3-6-4(2)5;/h3H2,1-2H3;.
What are the key properties of CID 157409555?
CID 157409555 has a molecular weight of 128.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157409555 is sourced from PubChem (CID 157409555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).