ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate

C11H16O4 — CID 13101433

IUPACethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(CCCO2)C1
InChIInChI=1S/C11H16O4/c1-3-13-10(12)9-7-11(15-8(9)2)5-4-6-14-11/h3-7H2,1-2H3
InChIKeyYHBYGZBTLOVDDD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds2

About ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate

ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate (PubChem CID 13101433) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate
PubChem CID13101433
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(CCCO2)C1
InChIInChI=1S/C11H16O4/c1-3-13-10(12)9-7-11(15-8(9)2)5-4-6-14-11/h3-7H2,1-2H3
InChIKeyYHBYGZBTLOVDDD-UHFFFAOYSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
Methyl 9-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)nonanoate
CID 21775131
Methyl 2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylate
CID 91444841
Ethyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54678506
Methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54688327
1-(2-Methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethan-1-one
CID 13227207
Ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate
CID 101224908
Ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
CID 131851758
Ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
CID 134986294
(E)-1,3-dimethoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]-3-oxoprop-1-en-1-olate
CID 135047803
1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxylic acid, 8-(2-methoxycarbonylethyl)-, methyl ester
CID 559925
ethyl (2E)-2-(oxolan-2-ylidene)octanoate
CID 11413783

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate?
The IUPAC name of ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate (CID 13101433) is ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate is CCOC(=O)C1=C(C)OC2(CCCO2)C1.
What is the InChIKey of ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate?
The InChIKey is YHBYGZBTLOVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-13-10(12)9-7-11(15-8(9)2)5-4-6-14-11/h3-7H2,1-2H3.
What are the key properties of ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate?
ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1,6-dioxaspiro[4.4]non-2-ene-3-carboxylate is sourced from PubChem (CID 13101433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).