methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate

C11H16O4 — CID 14686723

IUPACmethyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/C1CCC12OCCO2
InChIInChI=1S/C11H16O4/c1-8(10(12)13-2)7-9-3-4-11(9)14-5-6-15-11/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyYMDZPPYZNGXDGW-BQYQJAHWSA-N
MW212.24 g/mol
LogP1.26
Rot. Bonds2

About methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate

methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate (PubChem CID 14686723) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate
PubChem CID14686723
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/C1CCC12OCCO2
InChIInChI=1S/C11H16O4/c1-8(10(12)13-2)7-9-3-4-11(9)14-5-6-15-11/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyYMDZPPYZNGXDGW-BQYQJAHWSA-N
XLogP1.26
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 ≤ 51.26
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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Repbgwqgpxxiej-fnorwqnlsa-
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ethyl (2E,4R,6S,7S)-7-acetyloxy-6-(methoxymethoxy)-2,4-dimethylnona-2,8-dienoate
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ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
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1,3-Dioxolane, 2,2-dimethyl-4-(4-carbomethoxy-2-methyl-1-penten-5-ylidene)-, (E-or Z-)
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ethyl (E,6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhept-2-enoate
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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate (CID 14686723) is methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate is COC(=O)/C(C)=C/C1CCC12OCCO2.
What is the InChIKey of methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate?
The InChIKey is YMDZPPYZNGXDGW-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(10(12)13-2)7-9-3-4-11(9)14-5-6-15-11/h7,9H,3-6H2,1-2H3/b8-7+.
What are the key properties of methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate?
methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(5,8-dioxaspiro[3.4]octan-3-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 14686723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).