methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate

C10H14O4 — CID 11344621

IUPACmethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
SMILESCOC(=O)C1C=CCCC12OCCO2
InChIInChI=1S/C10H14O4/c1-12-9(11)8-4-2-3-5-10(8)13-6-7-14-10/h2,4,8H,3,5-7H2,1H3
InChIKeyCVOFDDSSAGTXAN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.87
Rot. Bonds1

About methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate

methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate (PubChem CID 11344621) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
PubChem CID11344621
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
SMILESCOC(=O)C1C=CCCC12OCCO2
InChIInChI=1S/C10H14O4/c1-12-9(11)8-4-2-3-5-10(8)13-6-7-14-10/h2,4,8H,3,5-7H2,1H3
InChIKeyCVOFDDSSAGTXAN-UHFFFAOYSA-N
XLogP0.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The IUPAC name of methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate (CID 11344621) is methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate.
What is the SMILES notation for methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The canonical SMILES for methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate is COC(=O)C1C=CCCC12OCCO2.
What is the InChIKey of methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The InChIKey is CVOFDDSSAGTXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-12-9(11)8-4-2-3-5-10(8)13-6-7-14-10/h2,4,8H,3,5-7H2,1H3.
What are the key properties of methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate is sourced from PubChem (CID 11344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).