methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate

C11H14O4 — CID 10488645

IUPACmethyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate
SMILESCOC(=O)/C=C1\C(=O)OC12CCCCC2
InChIInChI=1S/C11H14O4/c1-14-9(12)7-8-10(13)15-11(8)5-3-2-4-6-11/h7H,2-6H2,1H3/b8-7+
InChIKeyGODISPCPCAZFBG-BQYQJAHWSA-N
MW210.23 g/mol
LogP1.35
Rot. Bonds1

About methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate

methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate (PubChem CID 10488645) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate
PubChem CID10488645
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate
SMILESCOC(=O)/C=C1\C(=O)OC12CCCCC2
InChIInChI=1S/C11H14O4/c1-14-9(12)7-8-10(13)15-11(8)5-3-2-4-6-11/h7H,2-6H2,1H3/b8-7+
InChIKeyGODISPCPCAZFBG-BQYQJAHWSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Oxaspiro[3.5]nonan-2-one, 3-methylene-
CID 556531
Methyl 3-methyl-2-oxo-1-oxaspiro(4.5)dec-3-ene-4-carboxylate
CID 596948
dimethyl (Z)-2-cyclohexylbut-2-enedioate
CID 13005768
diethyl (Z)-2-(cyclohexylmethyl)but-2-enedioate
CID 12644236
diethyl (E)-2-(cyclohexylmethyl)but-2-enedioate
CID 12644237
dimethyl (E)-2-cyclohexylbut-2-enedioate
CID 13005769
Methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 46192660
Methyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate
CID 71427742
Methyl 2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxylate
CID 101497105
(3Z)-3-(2,2,2-trifluoroethylidene)-1-oxaspiro[3.5]nonan-2-one
CID 11736135
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
CID 574542
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-4-en-2-one
CID 597483

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate (CID 10488645) is methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate is COC(=O)/C=C1\C(=O)OC12CCCCC2.
What is the InChIKey of methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate?
The InChIKey is GODISPCPCAZFBG-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-9(12)7-8-10(13)15-11(8)5-3-2-4-6-11/h7H,2-6H2,1H3/b8-7+.
What are the key properties of methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate?
methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate has a molecular weight of 210.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2-oxo-1-oxaspiro[3.5]nonan-3-ylidene)acetate is sourced from PubChem (CID 10488645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).