methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate

C8H10O4 — CID 10654703

IUPACmethyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate
SMILESCOC(=O)/C=C1/CC(C)OC1=O
InChIInChI=1S/C8H10O4/c1-5-3-6(8(10)12-5)4-7(9)11-2/h4-5H,3H2,1-2H3/b6-4-
InChIKeyTZGHOKPTDFFXIN-XQRVVYSFSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds1

About methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate

methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate (PubChem CID 10654703) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate
PubChem CID10654703
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate
SMILESCOC(=O)/C=C1/CC(C)OC1=O
InChIInChI=1S/C8H10O4/c1-5-3-6(8(10)12-5)4-7(9)11-2/h4-5H,3H2,1-2H3/b6-4-
InChIKeyTZGHOKPTDFFXIN-XQRVVYSFSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Asteriscunolide A
CID 13919624
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CID 13919626
(4E,7E,10S)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
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Acetoxyanthecotulide
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Manshurolide
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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate (CID 10654703) is methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate is COC(=O)/C=C1/CC(C)OC1=O.
What is the InChIKey of methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate?
The InChIKey is TZGHOKPTDFFXIN-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-3-6(8(10)12-5)4-7(9)11-2/h4-5H,3H2,1-2H3/b6-4-.
What are the key properties of methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate?
methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate is sourced from PubChem (CID 10654703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).