methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate

C10H16O3 — CID 12916423

IUPACmethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1(C)OC12CCCCC2
InChIInChI=1S/C10H16O3/c1-9(8(11)12-2)10(13-9)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyKUTXJXMCCOGQGJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds1

About methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate

methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 12916423) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate
PubChem CID12916423
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1(C)OC12CCCCC2
InChIInChI=1S/C10H16O3/c1-9(8(11)12-2)10(13-9)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyKUTXJXMCCOGQGJ-UHFFFAOYSA-N
XLogP1.65
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate (CID 12916423) is methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate is COC(=O)C1(C)OC12CCCCC2.
What is the InChIKey of methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is KUTXJXMCCOGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(8(11)12-2)10(13-9)6-4-3-5-7-10/h3-7H2,1-2H3.
What are the key properties of methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate?
methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 12916423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).