methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate

C11H16O4 — CID 165448082

IUPACmethyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(C)OC12COC(C1CC1)C2
InChIInChI=1S/C11H16O4/c1-10(9(12)13-2)11(15-10)5-8(14-6-11)7-3-4-7/h7-8H,3-6H2,1-2H3
InChIKeyYJQDGRGHWWQVPN-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.89
Rot. Bonds2

About methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate

methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate (PubChem CID 165448082) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
PubChem CID165448082
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(C)OC12COC(C1CC1)C2
InChIInChI=1S/C11H16O4/c1-10(9(12)13-2)11(15-10)5-8(14-6-11)7-3-4-7/h7-8H,3-6H2,1-2H3
InChIKeyYJQDGRGHWWQVPN-UHFFFAOYSA-N
XLogP0.89
TPSA48.06 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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate (CID 165448082) is methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate is COC(=O)C1(C)OC12COC(C1CC1)C2.
What is the InChIKey of methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
The InChIKey is YJQDGRGHWWQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-10(9(12)13-2)11(15-10)5-8(14-6-11)7-3-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate?
methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 165448082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).