methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate

C13H18O4 — CID 11184009

IUPACmethyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C=C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H18O4/c1-10(12(14)15-2)9-11-3-5-13(6-4-11)16-7-8-17-13/h3-8H2,1-2H3
InChIKeyDAJJDNQVEDEEQC-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.95
Rot. Bonds1

About methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate

methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate (PubChem CID 11184009) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate
PubChem CID11184009
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C=C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H18O4/c1-10(12(14)15-2)9-11-3-5-13(6-4-11)16-7-8-17-13/h3-8H2,1-2H3
InChIKeyDAJJDNQVEDEEQC-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate?
The IUPAC name of methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate (CID 11184009) is methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate is COC(=O)C(C)=C=C1CCC2(CC1)OCCO2.
What is the InChIKey of methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate?
The InChIKey is DAJJDNQVEDEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(12(14)15-2)9-11-3-5-13(6-4-11)16-7-8-17-13/h3-8H2,1-2H3.
What are the key properties of methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate?
methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate has a molecular weight of 238.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-methylprop-2-enoate is sourced from PubChem (CID 11184009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).