methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

C10H16O4 — CID 10845708

IUPACmethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-12-9(11)8-2-4-10(5-3-8)13-6-7-14-10/h8H,2-7H2,1H3
InChIKeyXUTIURCKMWHHLX-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds1

About methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 10845708) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID10845708
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-12-9(11)8-2-4-10(5-3-8)13-6-7-14-10/h8H,2-7H2,1H3
InChIKeyXUTIURCKMWHHLX-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 10845708) is methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate is COC(=O)C1CCC2(CC1)OCCO2.
What is the InChIKey of methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is XUTIURCKMWHHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-12-9(11)8-2-4-10(5-3-8)13-6-7-14-10/h8H,2-7H2,1H3.
What are the key properties of methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate?
methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.09, 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]decane-8-carboxylate is sourced from PubChem (CID 10845708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).